| SMILES,Linker,Linker_type,Linker_length_B,Linker_length,MCD_ID,Ligand_str,Ligand_sml | |
| CC[C@H](NCC1Cc2cccc(c2)CCCCc2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(=O)NCC(C)C,LIN0131,Alkyl chain,5,5.5,MCD03887,MCD03887,[*]CCCC[*] | |
| Clc1cnc2nc1Nc1cccc(c1)CCc1cc(ccc1OCCN1CCCC1)N2,LIN0139,Alkyl chain,3,3.8,MCD05067,MCD05067,[*]CC[*] | |
| CN1CCN(c2ccc3cc2CCc2cccc(c2)Nc2nc(ncc2Cl)N3)CC1,LIN0139,Alkyl chain,3,3.8,MCD05068,MCD05068,[*]CC[*] | |
| COc1ccc2cc1Nc1nc(ncc1Cl)Nc1cccc(c1)CC2,LIN0139,Alkyl chain,3,3.8,MCD05069,MCD05069,[*]CC[*] | |
| COc1ccc2cc1Nc1nc(ncc1Cl)Nc1ccc(N3CCN(C)CC3)c(c1)CC2,LIN0139,Alkyl chain,3,3.8,MCD05070,MCD05070,[*]CC[*] | |
| CNC(=O)c1ccc2cc1Nc1nc(ncc1Cl)Nc1ccc(N3CCN(C)CC3)c(c1)CC2,LIN0139,Alkyl chain,3,3.8,MCD05071,MCD05071,[*]CC[*] | |
| CC(C)S(=O)(=O)c1ccc2cc1Nc1nc(ncc1Cl)Nc1ccc(N3CCN(C)CC3)c(c1)CC2,LIN0139,Alkyl chain,3,3.8,MCD05072,MCD05072,[*]CC[*] | |
| CN1CCN(c2ccc3cc2CCc2ccc(N(C)S(C)(=O)=O)c(c2)Nc2nc(ncc2Cl)N3)CC1,LIN0139,Alkyl chain,3,3.8,MCD05073,MCD05073,[*]CC[*] | |
| COc1cc(N2CCN(C)CC2)c2cc1Nc1ncc(Cl)c(n1)Nc1cccc(c1)CC2,LIN0139,Alkyl chain,3,3.8,MCD05074,MCD05074,[*]CC[*] | |
| COc1cc(N2CCN(C)CC2)c2cc1Nc1ncc(Cl)c(n1)Nc1cc(ccc1S(=O)(=O)C(C)C)CC2,LIN0139,Alkyl chain,3,3.8,MCD05075,MCD05075,[*]CC[*] | |
| COc1cc(N2CCN(C)CC2)c2cc1Nc1ncc(Cl)c(n1)Nc1cc(ccc1N(C)S(C)(=O)=O)CC2,LIN0139,Alkyl chain,3,3.8,MCD05076,MCD05076,[*]CC[*] | |
| Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)NC2,LIN0139,Alkyl chain,3,3.8,MCD06133,MCD06133,[*]CC[*] | |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4ccc(c3o2)CCc2ccc(cc2)CC4)CC1,LIN0139,Alkyl chain,3,3.8,MCD10151,MCD10151,[*]CC[*] | |
| O=C(NCCCCN1CCN(c2cccc(F)c2F)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,LIN0139,Alkyl chain,3,3.8,MCD10152,MCD10152,[*]CC[*] | |
| COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,LIN0139,Alkyl chain,3,3.8,MCD10153,MCD10153,[*]CC[*] | |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,LIN0139,Alkyl chain,3,3.8,MCD10154,MCD10154,[*]CC[*] | |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,LIN0139,Alkyl chain,3,3.8,MCD10155,MCD10155,[*]CC[*] | |
| c1ccc2c(c1)c1cc[n+]2CCC[n+]2ccc(c3ccccc32)NCCCN1,LIN0166,Alkyl chain,4,3.9,MCD00062,MCD00062,[*]CCC[*] | |
| c1ccc2c(c1)c1cc[n+]2CCCCCC[n+]2ccc(c3ccccc32)NCCCCCCN1,LIN0218,Alkyl chain,7,9.1,MCD00167,MCD00167,[*]CCCCCC[*] | |
| c1ccc2c(c1)c1cc[n+]2CCCCCC[n+]2ccc(c3ccccc32)NCc2ccc(cc2)CN1,LIN0218,Alkyl chain,7,9.1,MCD00212,MCD00212,[*]CCCCCC[*] | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCCCCn1cc2c2ccccc21,LIN0218,Alkyl chain,7,9.1,MCD14617,MCD14617,[*]CCCCCC[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)CC(NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0271,Alkyl chain,3,4.6,MCD00296,MCD00296,O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)NC([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)CCCCCCCC(NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0276,Alkyl chain,9,10.7,MCD00301,MCD00301,O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)NC([*])CCCCCCC[*] | |
| CC1CCc2cccc(c2)CC(C)(N)C(=O)OCc2cc(nc(N(C)S(C)(=O)=O)c2)CC1,LIN0291,Alkyl chain,6,6.5,MCD00399,MCD00399,CC(CC[*])CC[*] | |
| CC1CCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc(nc(N(C)S(C)(=O)=O)c2)CC1,LIN0291,Alkyl chain,6,6.5,MCD04028,MCD04028,CC(CC[*])CC[*] | |
| CC1CCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc(cc(N(C)S(C)(=O)=O)c2)CC1,LIN0291,Alkyl chain,6,6.5,MCD04029,MCD04029,CC(CC[*])CC[*] | |
| CC1CC[n+]2ccc(c3ccccc32)NCCCCCNc2cc[n+](c3ccccc23)CC1,LIN0291,Alkyl chain,6,6.5,MCD05425,MCD05425,CC(CC[*])CC[*] | |
| Nc1nc(N)c2c3c(sc2n1)CCCCCCCCCC3,LIN0363,Alkyl chain,11,12.9,MCD02337,MCD02337,[*]CCCCCCCCCC[*] | |
| NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCCCCCC3,LIN0363,Alkyl chain,11,12.9,MCD06100,MCD06100,[*]CCCCCCCCCC[*] | |
| Nc1nc2c(s1)CCCCCCCCCC2,LIN0363,Alkyl chain,11,12.9,MCD14219,MCD14219,[*]CCCCCCCCCC[*] | |
| Sc1nc2c(c(-c3nc(S)nc4c3CCCCCCCCCC4)n1)CCCCCCCCCC2,LIN0363,Alkyl chain,11,12.9,MCD14228,MCD14228,[*]CCCCCCCCCC[*] | |
| Oc1ccc2c(n1)CCCCCCCCCC2,LIN0363,Alkyl chain,11,12.9,MCD14434,MCD14434,[*]CCCCCCCCCC[*] | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCCCCCCCCn1cc2c2ccccc21,LIN0363,Alkyl chain,11,12.9,MCD14615,MCD14615,[*]CCCCCCCCCC[*] | |
| O=c1c2c(oc(O)c1C(c1ccccc1)C1CC1)CCCCCCCCCC2,LIN0363,Alkyl chain,11,12.9,MCD16573,MCD16573,[*]CCCCCCCCCC[*] | |
| NC(=O)c1c(N)sc2c1CCCCCCCCCC2,LIN0363,Alkyl chain,11,12.9,MCD17854,MCD17854,[*]CCCCCCCCCC[*] | |
| c1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3ccccc32)NCCCCCN1,LIN0364,Alkyl chain,6,6.7,MCD02487,MCD02487,[*]CCCCC[*] | |
| CC[C@H](NCC1Cc2cccc(c2)CCCCCc2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(=O)NCC(C)C,LIN0364,Alkyl chain,6,6.7,MCD03888,MCD03888,[*]CCCCC[*] | |
| Clc1cc(Cl)c2c3cc[n+](c2c1)CCCCC[n+]1ccc(c2c(Cl)cc(Cl)cc21)NCCCCCN3,LIN0364,Alkyl chain,6,6.7,MCD05386,MCD05386,[*]CCCCC[*] | |
| COc1ccc2c3cc[n+](c2c1)CCCCC[n+]1ccc(c2ccc(OC)cc21)NCCCCCN3,LIN0364,Alkyl chain,6,6.7,MCD05387,MCD05387,[*]CCCCC[*] | |
| Clc1ccc2c3cc[n+](c2c1)CCCCC[n+]1ccc(c2ccc(Cl)cc21)NCc1ccc(cc1)CN3,LIN0364,Alkyl chain,6,6.7,MCD05388,MCD05388,[*]CCCCC[*] | |
| Clc1ccc2c3cc[n+](c2c1)CCCCC[n+]1ccc(c2ccc(Cl)cc21)NCCCCCN3,LIN0364,Alkyl chain,6,6.7,MCD05389,MCD05389,[*]CCCCC[*] | |
| FC(F)(F)c1ccc2c3cc[n+](c2c1)CCCCC[n+]1ccc(c2ccc(C(F)(F)F)cc21)NCCCCCN3,LIN0364,Alkyl chain,6,6.7,MCD05390,MCD05390,[*]CCCCC[*] | |
| Oc1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3cc(O)ccc32)NCCCCCN1,LIN0364,Alkyl chain,6,6.7,MCD05391,MCD05391,[*]CCCCC[*] | |
| COc1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3cc(OC)ccc32)NCCCCCN1,LIN0364,Alkyl chain,6,6.7,MCD05392,MCD05392,[*]CCCCC[*] | |
| Cc1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3cc(C)ccc32)NCCCCCN1,LIN0364,Alkyl chain,6,6.7,MCD05393,MCD05393,[*]CCCCC[*] | |
| Clc1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3cc(Cl)ccc32)NCCCCCN1,LIN0364,Alkyl chain,6,6.7,MCD05394,MCD05394,[*]CCCCC[*] | |
| Fc1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3cc(F)ccc32)NCCCCCN1,LIN0364,Alkyl chain,6,6.7,MCD05395,MCD05395,[*]CCCCC[*] | |
| FC(F)(F)c1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3cc(C(F)(F)F)ccc32)NCCCCCN1,LIN0364,Alkyl chain,6,6.7,MCD05396,MCD05396,[*]CCCCC[*] | |
| Nc1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3cc(N)ccc32)NCCCCCN1,LIN0364,Alkyl chain,6,6.7,MCD05397,MCD05397,[*]CCCCC[*] | |
| O=[N+]([O-])c1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3cc([N+](=O)[O-])ccc32)NCCCCCN1,LIN0364,Alkyl chain,6,6.7,MCD05398,MCD05398,[*]CCCCC[*] | |
| c1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3ccccc32)NCC2CCC(CC2)CN1,LIN0364,Alkyl chain,6,6.7,MCD05401,MCD05401,[*]CCCCC[*] | |
| Oc1c2cc(I)cc1CNc1cc[n+](c3ccccc13)CCCCC[n+]1ccc(c3ccccc31)NC2,LIN0364,Alkyl chain,6,6.7,MCD05402,MCD05402,[*]CCCCC[*] | |
| Oc1c2cccc1CNc1cc[n+](c3ccccc13)CCCCC[n+]1ccc(c3ccccc31)NC2,LIN0364,Alkyl chain,6,6.7,MCD05403,MCD05403,[*]CCCCC[*] | |
| COc1c2cccc1CNc1cc[n+](c3ccccc13)CCCCC[n+]1ccc(c3ccccc31)NC2,LIN0364,Alkyl chain,6,6.7,MCD05404,MCD05404,[*]CCCCC[*] | |
| c1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3ccccc32)SCCCCCS1,LIN0364,Alkyl chain,6,6.7,MCD05409,MCD05409,[*]CCCCC[*] | |
| c1ccc2c(c1)c1cc[n+]2CCC2(CC[n+]3ccc(c4ccccc43)NCCC3(CCN1)OCCO3)OCCO2,LIN0470,Alkyl chain,6,7.1,MCD05412,MCD05412,[*]CCC1(CC[*])OCCO1 | |
| NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCCCCCCC3,LIN0479,Alkyl chain,12,10.3,MCD06101,MCD06101,[*]CCCCCCCCCCC[*] | |
| NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCCCCCCCCC3,LIN0480,Alkyl chain,14,16,MCD06102,MCD06102,[*]CCCCCCCCCCCCC[*] | |
| O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1CCCCCCc2ccccc2-c2c[nH]c1n2,LIN0585,Alkyl chain,8,5.8,MCD11522,MCD11522,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCC[*] | |
| COC(=O)Nc1ccc2c(c1)CCCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0585,Alkyl chain,8,5.8,MCD11549,MCD11549,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCC[*] | |
| COC(=O)Nc1ccc2c(c1)CCCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0585,Alkyl chain,8,5.8,MCD11998,MCD11998,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCC[*] | |
| COC(=O)Nc1ccc2c(c1)CCCCc1cccc(c1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0587,Alkyl chain,3,3.8,MCD11524,MCD11524,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)CNC(=O)c1ccc(cc1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0587,Alkyl chain,3,3.8,MCD11525,MCD11525,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)CCCCc1ccc(cc1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0587,Alkyl chain,3,3.8,MCD11526,MCD11526,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0587,Alkyl chain,3,3.8,MCD12111,MCD12111,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCc1cccc(n1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0587,Alkyl chain,3,3.8,MCD12112,MCD12112,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCc1cc(ccc1F)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0587,Alkyl chain,3,3.8,MCD12113,MCD12113,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCc1cccc(c1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0587,Alkyl chain,3,3.8,MCD12114,MCD12114,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)CCCCc1cccc(c1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0587,Alkyl chain,3,3.8,MCD12115,MCD12115,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)CNC(=O)c1ccc(cc1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0587,Alkyl chain,3,3.8,MCD12116,MCD12116,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)CNC(=O)c1cccc(c1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0587,Alkyl chain,3,3.8,MCD12117,MCD12117,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)CNC(=O)c1cccc(c1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0587,Alkyl chain,3,3.8,MCD12118,MCD12118,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)CC(NC(=O)c1c(F)cc(C)cc1F)c1nc-2c[nH]1,LIN0588,Alkyl chain,3,3.8,MCD11527,MCD11527,Cc1cc(F)c(C(=O)NC([*])C[*])c(F)c1 | |
| CCC1CCC(C(=O)NC2Cc3ccc(F)c(n3)CCC(=O)Nc3cc(NC(=O)OC)ccc3-c3nc2[nH]c3Cl)CC1,LIN0590,Alkyl chain,3,3.8,MCD11529,MCD11529,CCC1CCC(C(=O)NC([*])C[*])CC1 | |
| CNc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)CC(NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0591,Alkyl chain,3,3.8,MCD11530,MCD11530,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)NC([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)CC(NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2cn1C,LIN0591,Alkyl chain,3,3.8,MCD11531,MCD11531,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)NC([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)CC(C(=O)N(C)C)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0636,Alkyl chain,8,5.8,MCD11586,MCD11586,CN(C)C(=O)C(C[*])CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1 | |
| COC(=O)Nc1ccc2c(c1)C(=O)C(F)(F)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0640,Alkyl chain,8,9.4,MCD11590,MCD11590,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCC(F)(F)C(=O)[*] | |
| COC(=O)Nc1ccc2c(c1)CCCCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0739,Alkyl chain,9,10.1,MCD12000,MCD12000,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCCC[*] | |
| COC(=O)Nc1ccc2c(c1)CCCCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0739,Alkyl chain,9,10.1,MCD12001,MCD12001,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCCC[*] | |
| COC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)OC)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0807,Alkyl chain,8,9.1,MCD12544,MCD12544,COC(=O)[C@H](C[*])CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1 | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCCCCCCn1cc2c2ccccc21,LIN0878,Alkyl chain,9,10,MCD14614,MCD14614,[*]CCCCCCCC[*] | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCCCCCCCn1cc2c2ccccc21,LIN0880,Alkyl chain,10,10.7,MCD14618,MCD14618,[*]CCCCCCCCC[*] | |
| COC1Cc2cccc(c2)Oc2c(O)cccc2CCc2ccc(cc2)Oc2cc1cc(O)c2O,LIN0883,Alkyl chain,3,4.6,MCD15096,MCD15096,COC([*])C[*] | |
| CC(C)C(=O)Oc1ccc2cc1Oc1ccc(cc1)CC[C@@H](OC(=O)C(C)C)CCCC2,LIN0889,Alkyl chain,8,8.6,MCD16018,MCD16018,CC(C)C(=O)O[C@H](CC[*])CCCC[*] | |
| O=C(Oc1ccc2cc1Oc1ccc(cc1)CC[C@@H](OC(=O)c1ccccc1)CCCC2)c1ccccc1,LIN0892,Alkyl chain,8,7.1,MCD16029,MCD16029,O=C(O[C@H](CC[*])CCCC[*])c1ccccc1 | |
| O=C(Oc1ccc2cc1Oc1ccc(cc1)CC[C@@H](OC(=O)c1ccc(Cl)cc1)CCCC2)c1ccc(Cl)cc1,LIN0893,Alkyl chain,8,9.1,MCD16032,MCD16032,O=C(O[C@H](CC[*])CCCC[*])c1ccc(Cl)cc1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)CC(NC(=O)/C=C/c1cc(Cl)ccc1C(C)=O)c1nc-2c[nH]1,LIN0911,Alkyl chain,3,4.6,MCD18063,MCD18063,CC(=O)c1ccc(Cl)cc1/C=C/C(=O)NC([*])C[*] | |
| COC(=O)Nc1ccc2c(c1)CCCCCCC[C@H](N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0947,Alkyl chain,9,8.5,MCD18637,MCD18637,OC(/C=C/c1cc(Cl)ccc1-n1cnnn1)=N[C@H]([*])CCCCCCC[*] | |
| COC(O)=Nc1ccc2c(c1)N=C(O)CCc1nc(ccc1F)C[C@H](N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1,LIN0962,Alkyl chain,3,4.6,MCD18741,MCD18741,OC(/C=C/c1cc(Cl)ccc1-n1cnnn1)=N[C@H]([*])C[*] | |
| O=C1Nc2cccc(c2)CNc2nc(ncc2Cl)Nc2cccc1c2,LIN0015,Amide,3,4.5,MCD06135,MCD06135,O=C([*])N[*] | |
| Cc1nn(C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2,LIN0036,Amide,4,4.1,MCD05608,MCD05608,CN(C[*])C(=O)[*] | |
| Cc1nn(C)c2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1C(=O)N(C)C2,LIN0036,Amide,4,4.1,MCD05609,MCD05609,CN(C[*])C(=O)[*] | |
| COc1nn(C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2,LIN0036,Amide,4,4.1,MCD05612,MCD05612,CN(C[*])C(=O)[*] | |
| C[C@H]1Oc2cc(cnc2N)-c2c(C3CC3)nn(C)c2CN(C)C(=O)c2ccc(F)cc21,LIN0036,Amide,4,4.1,MCD05616,MCD05616,CN(C[*])C(=O)[*] | |
| C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21,LIN0036,Amide,4,4.1,MCD05617,MCD05617,CN(C[*])C(=O)[*] | |
| Cc1cnc2nc3c(n2c1)-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C3,LIN0036,Amide,4,4.1,MCD05618,MCD05618,CN(C[*])C(=O)[*] | |
| C[C@H]1Oc2nc(cnc2N)-c2c(nc3ccc(C#N)cn23)CN(C)C(=O)c2ccc(F)cc21,LIN0036,Amide,4,4.1,MCD05619,MCD05619,CN(C[*])C(=O)[*] | |
| Cc1nn(C)c2c1-c1cnc(N)c(c1)O[C@@H](C)c1cc(F)ccc1C(=O)N(C)C2,LIN0036,Amide,4,4.1,MCD10734,MCD10734,CN(C[*])C(=O)[*] | |
| C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccccc21,LIN0036,Amide,4,5.3,MCD12188,MCD12188,CN(C[*])C(=O)[*] | |
| Cc1[nH][n+](C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2,LIN0036,Amide,4,5.3,MCD12273,MCD12273,CN(C[*])C(=O)[*] | |
| COc1nn(C)c2c1-c1cnc(N)c(n1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2,LIN0036,Amide,4,5.3,MCD05613,MCD05613,CN(C[*])C(=O)[*] | |
| C[C@H]1Oc2cc(cnc2N)Cc2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21,LIN0036,Amide,4,5.3,MCD07435,MCD07435,CN(C[*])C(=O)[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCC(O)CCCCC4)cc2)CC1,LIN0001,Amine,14,15.3,MCD06472,MCD06472,OC(CCCC[*])CCCCCCCN[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCC(O)CCCCC4)cc2)CC1,LIN0001,Amine,14,15.3,MCD06473,MCD06473,OC(CCCC[*])CCCCCCCN[*] | |
| Cc1nn(C)c2c1Cc1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2,LIN0036,Amide,4,5.3,MCD07436,MCD07436,CN(C[*])C(=O)[*] | |
| Cc1nn(CCO)c2c1-c1cnc(N)c(n1)OC(C)c1c(ccc(F)c1Cl)C(=O)N(C)C2,LIN0036,Amide,4,5.3,MCD13053,MCD13053,CN(C[*])C(=O)[*] | |
| Cc1nn(CCO)c2c1-c1cnc(N)c(n1)O[C@H](C)c1c(ccc(F)c1Cl)C(=O)N(C)C2,LIN0036,Amide,4,5.3,MCD18496,MCD18496,CN(C[*])C(=O)[*] | |
| C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1,LIN0046,Amide,6,7.4,MCD07285,MCD07285,C[C@H](CC[*])NC(=O)[*] | |
| C[C@H]1CCc2ncc(F)cc2[C@@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1,LIN0046,Amide,6,7.4,MCD08124,MCD08124,C[C@H](CC[*])NC(=O)[*] | |
| CCN(CC)C1CCN(C(=O)c2cccc(Nc3nc4nc5c(cnn35)CCCCC(=O)Nc3cccc(c3)N4)c2)C1,LIN0089,Amide,7,8.6,MCD10365,MCD10365,O=C(CCCC[*])N[*] | |
| CN1CC(NC(=O)c2cccc(Nc3nc4nc5c(cnn35)CCCCC(=O)Nc3cccc(c3)N4)c2)C1,LIN0089,Amide,7,8.6,MCD10368,MCD10368,O=C(CCCC[*])N[*] | |
| CN1CCN(C(=O)c2cccc(Nc3nc4nc5c(cnn35)CCCCC(=O)Nc3cccc(c3)N4)c2)CC1,LIN0089,Amide,7,8.6,MCD10372,MCD10372,O=C(CCCC[*])N[*] | |
| COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3sc-2cc13,LIN0147,Amide,4,5.2,MCD08368,MCD08368,O=C([*])NC[*] | |
| COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3[nH]c-2cc13,LIN0147,Amide,4,5.2,MCD08370,MCD08370,O=C([*])NC[*] | |
| Cc1cc2c(c(=O)[nH]1)CNC(=O)c1cc(Cl)cc3c1c(cn3C(C)C)/C=C/CC2,LIN0147,Amide,4,5.2,MCD00083,MCD00083,O=C([*])NC[*] | |
| Cc1cc2c(c(=O)[nH]1)CNC(=O)c1cc(-c3ccc(N4CCNCC4)nc3)cc3c1c(cn3C(C)C)C/C=C/CC2,LIN0147,Amide,4,5.2,MCD00442,MCD00442,O=C([*])NC[*] | |
| CCN(c1cc(Cl)cc2c1C/C=C/CCc1cc(C)[nH]c(=O)c1CNC2=O)C1CCC(F)(F)CC1,LIN0147,Amide,4,5.2,MCD00198,MCD00198,O=C([*])NC[*] | |
| CCN(c1cccc2c1C/C=C/CCc1cc(C)[nH]c(=O)c1CNC2=O)C1CCNCC1,LIN0147,Amide,4,5.2,MCD05746,MCD05746,O=C([*])NC[*] | |
| CCN(c1cccc2c1CCCCCCc1cc(C)[nH]c(=O)c1CNC2=O)C1CCOCC1,LIN0147,Amide,4,5.2,MCD05747,MCD05747,O=C([*])NC[*] | |
| CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)OCCc2cccc(c2)C(Nc2ccc3c(N)nccc3c2)C1=O,LIN0150,Amide,5,6.4,MCD00001,MCD00001,CN(C[*])C(=O)C([*])Nc1ccc2c(N)nccc2c1 | |
| CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)CCc2cccc(c2)C(Nc2ccc3c(N)nccc3c2)C1=O,LIN0150,Amide,5,6.4,MCD00002,MCD00002,CN(C[*])C(=O)C([*])Nc1ccc2c(N)nccc2c1 | |
| Nc1cc2ccc1Oc1cc(cc(Br)c1O)CCNC(=O)CC2,LIN0153,Amide,7,8.5,MCD00005,MCD00005,O=C(CC[*])NCC[*] | |
| O=C1CCc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCN1,LIN0153,Amide,7,8.5,MCD00006,MCD00006,O=C(CC[*])NCC[*] | |
| O=C1CCc2ccc(c(I)c2)Oc2cc(cc(Br)c2O)CCN1,LIN0153,Amide,7,8.5,MCD00007,MCD00007,O=C(CC[*])NCC[*] | |
| O=C1CCc2ccc(c([N+](=O)[O-])c2)Oc2cc(cc(Br)c2O)CCN1,LIN0153,Amide,7,8.5,MCD00023,MCD00023,O=C(CC[*])NCC[*] | |
| O=C1N[C@H](C(=O)O)Cc2cn(cn2)C/C=C/Cc2ccc(Cl)c1c2,LIN0154,Amide,5,6.9,MCD00008,MCD00008,O=C([*])N[C@@H](C[*])C(=O)O | |
| O=C1N[C@@H](C(=O)O)Cc2cn(cn2)C/C=C/COc2ccc(Cl)c1c2,LIN0160,Amide,5,5.5,MCD00026,MCD00026,O=C([*])N[C@H](C[*])C(=O)O | |
| C[C@H]1NC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2NC1=O,LIN0163,Amide,6,7.8,MCD00038,MCD00038,C[C@@H](NC(=O)[*])C(=O)N[*] | |
| CN1Cc2nn(C)cc2-c2cnc3[nH]cc(c3c2)-c2cnn(c2)CCCC1=O,LIN0167,Amide,7,8.4,MCD00069,MCD00069,CN(C[*])C(=O)CCC[*] | |
| CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(c3c2)-c2cn(nc2C(F)(F)F)CCCC1=O,LIN0167,Amide,7,8.4,MCD00166,MCD00166,CN(C[*])C(=O)CCC[*] | |
| CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(c3c2)-c2cn(nc2C(F)(F)F)CCCC1=O,LIN0167,Amide,7,8.4,MCD00200,MCD00200,CN(C[*])C(=O)CCC[*] | |
| Cc1[nH]c2ncc3cc2c1-c1cn(nc1C(F)(F)F)CCCC(=O)N(C)Cc1nn(C)c(C#N)c1-3,LIN0167,Amide,7,8.7,MCD00201,MCD00201,CN(C[*])C(=O)CCC[*] | |
| Nc1cc2ccc1Oc1cc(cc(Br)c1O)CCNC(=O)CCNC(=O)CC2,LIN0168,Amide,11,13.5,MCD00070,MCD00070,O=C(CC[*])NCCC(=O)NCC[*] | |
| [N-]=[N+]=Nc1cc2ccc1Oc1cc(cc(Br)c1O)CCNC(=O)CCNC(=O)CC2,LIN0168,Amide,11,13.5,MCD00098,MCD00098,O=C(CC[*])NCCC(=O)NCC[*] | |
| O=C1CCNC(=O)CCc2ccc(c([N+](=O)[O-])c2)Oc2cc(cc(Br)c2O)CCN1,LIN0168,Amide,11,13.5,MCD00099,MCD00099,O=C(CC[*])NCCC(=O)NCC[*] | |
| O=C1CCNC(=O)CCc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCN1,LIN0168,Amide,11,13.5,MCD04284,MCD04284,O=C(CC[*])NCCC(=O)NCC[*] | |
| CN1Cc2nn(C)cc2-c2cnc3[nH]cc(c3c2)-c2cnn(c2)CCCCC1=O,LIN0179,Amide,8,8.6,MCD00092,MCD00092,CN(C[*])C(=O)CCCC[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1ccc(C(=N)N)cc1)c1nc-2c[nH]1,LIN0213,Amide,8,8.7,MCD00161,MCD00161,N=C(N)c1ccc(C(=O)N[C@H]([*])CCCCC(=O)N[*])cc1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1ccnn1)c1nc-2c[nH]1,LIN0214,Amide,8,8.2,MCD00162,MCD00162,O=C(/C=C/c1cc(Cl)ccc1-n1ccnn1)N[C@H]([*])CCCCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1c(F)cc3c(ncn3C)c1F)c1nc-2c(F)[nH]1,LIN0216,Amide,8,9.2,MCD00164,MCD00164,Cn1cnc2c(F)c(C(=O)N[C@H]([*])CCCCC(=O)N[*])c(F)cc21 | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)NC(=O)CNC(=O)Cc1cncn1C2,LIN0217,Amide,7,9.3,MCD00165,MCD00165,O=C(CNC(=O)C[*])N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1ncc-2o1,LIN0223,Amide,8,6.6,MCD00177,MCD00177,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCC(=O)N[*] | |
| O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1CCCCC(=O)Nc2cnccc2-c2ccnc1c2,LIN0223,Amide,8,6.6,MCD11558,MCD11558,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCC(=O)N[*] | |
| O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1CCCCC(=O)Nc2cc3[nH]ncc3cc2-c2c[nH]c1n2,LIN0223,Amide,8,6.6,MCD11579,MCD11579,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0223,Amide,8,6.6,MCD12013,MCD12013,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1cc-2ccn1,LIN0223,Amide,8,6.6,MCD12305,MCD12305,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCC(=O)N[*] | |
| O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1CCCCC(=O)Nc2ccccc2-c2c[nH]c1n2,LIN0223,Amide,8,6.6,MCD12529,MCD12529,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCC(=O)N[*] | |
| CN1C(=O)CNC(=O)Cc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc1c3c2,LIN0224,Amide,7,7.4,MCD00178,MCD00178,CN([*])C(=O)CNC(=O)C[*] | |
| C[C@H]1NC(=O)Cc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)NC1=O,LIN0225,Amide,7,6.8,MCD00179,MCD00179,C[C@@H](NC(=O)C[*])C(=O)N[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)C(=O)NCCNC(=O)Cc1cncn1C2,LIN0226,Amide,8,10,MCD00180,MCD00180,O=C([*])NCCNC(=O)C[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)/C=C/c1c(C(F)(F)F)ccc(Cl)c1F)c1nc-2c(Cl)[nH]1,LIN0230,Amide,9,8.8,MCD00188,MCD00188,O=C(/C=C/c1c(C(F)(F)F)ccc(Cl)c1F)N[C@H]([*])C/C=C/CCC(=O)N[*] | |
| COc1c2c(nn1C)CN(C(C)C)C(=O)CCCn1cc(c(C(F)(F)F)n1)-c1c[nH]c3ncc-2cc13,LIN0235,Amide,7,5.3,MCD00211,MCD00211,CC(C)N(C[*])C(=O)CCC[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cncn1C2,LIN0259,Amide,7,6.9,MCD00271,MCD00271,O=C(C[*])N[C@H](Cc1ccccc1)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)CCCC(N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0261,Amide,8,9,MCD00280,MCD00280,CC(CCCC([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCC=CCC(N1CCC(c3cccc(Cl)c3)OC1=O)c1nc-2c[nH]1,LIN0264,Amide,9,9,MCD00283,MCD00283,O=C(CCC=CCC([*])N1CCC(c2cccc(Cl)c2)OC1=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)CCCC(NC(=O)c1cnn(-c3cccc(Cl)c3F)c1N)c1cc-2ccn1,LIN0265,Amide,8,7.3,MCD00287,MCD00287,CC(CCCC([*])NC(=O)c1cnn(-c2cccc(Cl)c2F)c1N)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)CCCC(NC(=O)c1ncn(-c3cccc(Cl)c3F)c1C)c1cc-2ccn1,LIN0266,Amide,8,8.4,MCD00288,MCD00288,Cc1c(C(=O)NC([*])CCCC(C)C(=O)N[*])ncn1-c1cccc(Cl)c1F | |
| CCC1CCCC(NC(=O)C=Cc2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2NC1=O,LIN0268,Amide,8,9.5,MCD00293,MCD00293,CCC(CCCC([*])NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC(C)CCCC(NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0270,Amide,9,10.3,MCD00295,MCD00295,CC(CCCC([*])NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)CC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCCC(NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0273,Amide,8,8.7,MCD00298,MCD00298,O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)NC([*])CCCCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCCCC(NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0275,Amide,9,10.6,MCD00300,MCD00300,O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)NC([*])CCCCCC(=O)N[*] | |
| CC1CCCC(n2cnc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc2=O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O,LIN0277,Amide,8,9.4,MCD00302,MCD00302,CC(CCCC([*])n1cnc(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O)C(=O)N[*] | |
| CC1CC(=O)Nc2ccc(S(=O)(=O)C3CC3)c(c2)CN(C)C(=O)C(Nc2ccc3c(N)ncc(F)c3c2)c2ccc(OCC(F)F)c1c2,LIN0279,Amide,5,5.9,MCD00304,MCD00304,CN(C[*])C(=O)C([*])Nc1ccc2c(N)ncc(F)c2c1 | |
| CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)N(CC2CCC2)CCc2cccc(c2)C(Nc2ccc3c(N)ncc(F)c3c2)C1=O,LIN0279,Amide,5,5.9,MCD00751,MCD00751,CN(C[*])C(=O)C([*])Nc1ccc2c(N)ncc(F)c2c1 | |
| CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)N(CC2CC2)CCc2cccc(c2)C(Nc2ccc3c(N)ncc(F)c3c2)C1=O,LIN0279,Amide,5,5.9,MCD00753,MCD00753,CN(C[*])C(=O)C([*])Nc1ccc2c(N)ncc(F)c2c1 | |
| O=C1NCCCCCn2cc(cn2)-c2cnc3ccc(cc3c2)CCn2nc(ccc2=O)-c2ccc1c(C(F)(F)F)c2,LIN0295,Amide,8,9.5,MCD00458,MCD00458,O=C([*])NCCCCC[*] | |
| O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCCCCc2cc(ccn2)-c2nc1cs2,LIN0295,Amide,8,7.8,MCD16532,MCD16532,O=C([*])NCCCCC[*] | |
| CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)C(NC(=O)c2ccnn2C)Cc2cc(ccc2Cl)-c2cccc(c2)CCC(=O)N1,LIN0299,Amide,7,7.7,MCD00471,MCD00471,CNC(=O)[C@@H](C[*])NC(=O)CC[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CCC[C@H](c1ccc(-c3cccc(Cl)c3F)c[n+]1[O-])c1nc-2c(C(=O)O)[nH]1,LIN0301,Amide,8,5.5,MCD00473,MCD00473,CC(C)(CCC[C@@H]([*])c1ccc(-c2cccc(Cl)c2F)c[n+]1[O-])C(=O)N[*] | |
| CC1NC(=O)[C@@H]2CC2CCCC(F)(F)Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)[C@H]5C)cc(Cl)c4n3C3CC3)cc3ccc1nc32,LIN0307,Amide,11,6.2,MCD00485,MCD00485,CC([*])NC(=O)[C@@H]1CC1CCCC(F)(F)C[*] | |
| COc1cc(C(=O)N2C[C@H](N)[C@@H]3CC[C@H]2C3)cc2nc(-c3cc4ccc5nc4n3CCCCCC3[C@H](C(=O)NC5C)C3(F)F)n(C)c12,LIN0308,Amide,11,11.4,MCD00486,MCD00486,CC([*])NC(=O)[C@H]1C(CCCCC[*])C1(F)F | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CCC[C@H](c1ccc(-c3cc(F)ccc3OC(F)F)c[n+]1[O-])c1nc-2c(C(=O)O)[nH]1,LIN0309,Amide,8,7.7,MCD00489,MCD00489,CC(C)(CCC[C@@H]([*])c1ccc(-c2cc(F)ccc2OC(F)F)c[n+]1[O-])C(=O)N[*] | |
| CC1NC(=O)[C@@H]2C[C@@]2(F)CCCC(F)(F)Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)[C@H]5C)cc(F)c4n3C3CC3)cc3ccc1nc32,LIN0311,Amide,11,11.4,MCD00492,MCD00492,CC([*])NC(=O)[C@@H]1C[C@@]1(F)CCCC(F)(F)C[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CCC[C@H](c1ccc(-c3cc(F)ccc3-n3cc(C(F)(F)F)cn3)c[n+]1[O-])c1nc-2c(C(=O)O)[nH]1,LIN0312,Amide,8,7.9,MCD00493,MCD00493,CC(C)(CCC[C@@H]([*])c1ccc(-c2cc(F)ccc2-n2cc(C(F)(F)F)cn2)c[n+]1[O-])C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CCC[C@H](c1ccc(-c3cc(F)ccc3-n3cc(C(F)(F)F)cn3)c[n+]1[O-])c1nc-2c(C(=O)OC)[nH]1,LIN0312,Amide,8,7.9,MCD00496,MCD00496,CC(C)(CCC[C@@H]([*])c1ccc(-c2cc(F)ccc2-n2cc(C(F)(F)F)cn2)c[n+]1[O-])C(=O)N[*] | |
| Nc1nccc2cc(NC3C(=O)NCc4cccc(c4)NC(=O)CCCc4ccc3cc4)ccc12,LIN0314,Amide,5,6,MCD00695,MCD00695,Nc1nccc2cc(NC([*])C(=O)NC[*])ccc12 | |
| Nc1nccc2cc(N[C@@H]3C(=O)NCc4cccc(c4)NC(=O)CCCc4ccc3cc4)ccc12,LIN0315,Amide,5,6.4,MCD00699,MCD00699,Nc1nccc2cc(N[C@@H]([*])C(=O)NC[*])ccc12 | |
| CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)NCCc2cccc(c2)[C@@H](Nc2ccc3c(N)ncc(F)c3c2)C1=O,LIN0318,Amide,5,5.4,MCD00733,MCD00733,CN(C[*])C(=O)[C@@H]([*])Nc1ccc2c(N)ncc(F)c2c1 | |
| CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)CCc2cccc(c2)[C@@H](Nc2ccc3c(N)ncc(F)c3c2)C1=O,LIN0318,Amide,5,5.4,MCD00744,MCD00744,CN(C[*])C(=O)[C@@H]([*])Nc1ccc2c(N)ncc(F)c2c1 | |
| C[C@H]1CC(=O)Nc2ccc(S(=O)(=O)C3CC3)c(c2)CN(C)C(=O)[C@H](Nc2ccc3c(N)ncc(F)c3c2)c2ccc(OCC(F)F)c1c2,LIN0318,Amide,5,5.4,MCD11255,MCD11255,CN(C[*])C(=O)[C@@H]([*])Nc1ccc2c(N)ncc(F)c2c1 | |
| C[C@@H]1CC(=O)Nc2ccc(S(=O)(=O)C3CC3)c(c2)CN(C)C(=O)[C@H](Nc2ccc3c(N)ncc(F)c3c2)c2ccc(OCC(F)F)c1c2,LIN0318,Amide,5,5.4,MCD11256,MCD11256,CN(C[*])C(=O)[C@@H]([*])Nc1ccc2c(N)ncc(F)c2c1 | |
| COc1ccc2cc1CCC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1,LIN0320,Amide,5,6.9,MCD00735,MCD00735,O=C(CC[*])N[*] | |
| COc1cc2cc(c1)[C@@H](Nc1ccc3c(N)ncc(F)c3c1)C(=O)N(C)Cc1cc(ccc1S(=O)(=O)C1CC1)NC(=O)CC2,LIN0320,Amide,5,6.9,MCD00752,MCD00752,O=C(CC[*])N[*] | |
| O=C1CCc2cccc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1,LIN0320,Amide,5,6.9,MCD14551,MCD14551,O=C(CC[*])N[*] | |
| O=C1NCCc2cccc(c2)Nc2ncc(Cl)c(n2)Nc2cc1[nH]n2,LIN0330,Amide,5,5.6,MCD00931,MCD00931,O=C([*])NCC[*] | |
| O=C1NCCc2cccc(c2)Nc2nc(c3ccccc3n2)Nc2cc1[nH]n2,LIN0330,Amide,5,5.6,MCD00934,MCD00934,O=C([*])NCC[*] | |
| O=C1NCCc2ccc(cc2)Nc2ncc(Cl)c(n2)Nc2cc1[nH]n2,LIN0330,Amide,5,5.6,MCD01020,MCD01020,O=C([*])NCC[*] | |
| O=C1NCCc2ccc(cc2)Nc2nc(c3ccccc3n2)Nc2cc1[nH]n2,LIN0330,Amide,5,5.6,MCD01023,MCD01023,O=C([*])NCC[*] | |
| Cc1cnc2nc1Nc1cc([nH]n1)C(=O)NCCc1ccc(cc1)N2,LIN0330,Amide,5,5.8,MCD01022,MCD01022,O=C([*])NCC[*] | |
| CCCN1CCCCOc2cccc(c2)C[C@@H]([C@H](O)CNC(C)(C)c2cccc(OC)c2)NC(=O)c2cccc(c2)C1=O,LIN0346,Amide,5,6.7,MCD01082,MCD01082,COc1cccc(C(C)(C)NC[C@@H](O)[C@H](C[*])NC(=O)[*])c1 | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2[nH]ncc2NC1=O,LIN0357,Amide,8,9.7,MCD01898,MCD01898,C[C@H](CCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3ccnc3)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O,LIN0358,Amide,8,8.2,MCD01901,MCD01901,C[C@H](CCC[C@@H]([*])N1CCC(c2cc(Cl)ccc2-n2ccnc2)=CC1=O)C(=O)N[*] | |
| CCn1ncc2c1-c1ccnc(c1)[C@@H](N1CCC(c3cc(Cl)ccc3-n3ccnn3)=CC1=O)CCC[C@@H](C)C(=O)N2,LIN0360,Amide,8,7.8,MCD01904,MCD01904,C[C@H](CCC[C@@H]([*])N1CCC(c2cc(Cl)ccc2-n2ccnn2)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3cc(Cl)nn3)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O,LIN0361,Amide,8,9.4,MCD01909,MCD01909,C[C@H](CCC[C@@H]([*])N1CCC(c2cc(Cl)ccc2-n2cc(Cl)nn2)=CC1=O)C(=O)N[*] | |
| O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc21,LIN0365,Amide,5,6.8,MCD02529,MCD02529,O=C([*])NNC(=O)[*] | |
| O=C1N[C@H](C(=O)O)CCCCCc2ccccc2C[C@@H]1CS,LIN0366,Amide,11,10,MCD02530,MCD02530,O=C(N[C@@H](CCCCC[*])C(=O)O)[C@H](C[*])CS | |
| O=C1N[C@H](C(=O)O)CCCCCc2ccccc2C[C@H]1CS,LIN0367,Amide,11,8.7,MCD02585,MCD02585,O=C(N[C@@H](CCCCC[*])C(=O)O)[C@@H](C[*])CS | |
| O=C1N[C@@H](C(=O)O)Cc2ccccc2CCCCC[C@@H]1CS,LIN0368,Amide,11,7.9,MCD02586,MCD02586,O=C(N[C@H](C[*])C(=O)O)[C@@H](CS)CCCCC[*] | |
| CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O,LIN0377,Amide,6,7.5,MCD04024,MCD04024,O=C([*])N[C@H](CC[*])c1ccccc1 | |
| CCCN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)COC2)S(C)(=O)=O,LIN0377,Amide,6,7.5,MCD04081,MCD04081,O=C([*])N[C@H](CC[*])c1ccccc1 | |
| CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(=O)(=O)C(F)(F)F,LIN0377,Amide,6,7.5,MCD04091,MCD04091,O=C([*])N[C@H](CC[*])c1ccccc1 | |
| CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(=O)(=O)CC(F)(F)F,LIN0377,Amide,6,7.5,MCD04092,MCD04092,O=C([*])N[C@H](CC[*])c1ccccc1 | |
| C[C@]1(N)COCc2cc(cc(N(c3ccccc3)S(C)(=O)=O)c2)C(=O)N[C@@H](c2ccccc2)CCc2cccc(c2)C1,LIN0377,Amide,6,7.5,MCD04102,MCD04102,O=C([*])N[C@H](CC[*])c1ccccc1 | |
| CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)COC2)S(C)(=O)=O,LIN0377,Amide,6,7.5,MCD04103,MCD04103,O=C([*])N[C@H](CC[*])c1ccccc1 | |
| CCCN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O,LIN0377,Amide,6,7.5,MCD04104,MCD04104,O=C([*])N[C@H](CC[*])c1ccccc1 | |
| C#C[C@H]1CCc2cccc(c2)C[C@@](C)(N)COCc2cc(cc(N(CCC)S(C)(=O)=O)c2)C(=O)N1,LIN0383,Amide,6,4.7,MCD04094,MCD04094,C#C[C@@H](CC[*])NC(=O)[*] | |
| COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNC1(c3cccc(C(C)(C)C)c3)CCCC1)Cc1cccc(c1)OCCCCN2,LIN0398,Amide,5,5.6,MCD04546,MCD04546,CC(C)(C)c1cccc(C2(NC[C@@H](O)[C@H](C[*])NC(=O)[*])CCCC2)c1 | |
| N#CC1(NC(=O)[C@@H]2Cc3ccc(cc3)OC/C=C/COc3ccccc3C(=O)N2)CC1,LIN0488,Amide,5,6.6,MCD06751,MCD06751,N#CC1(NC(=O)[C@H](C[*])NC(=O)[*])CC1 | |
| N#CC1(NC(=O)[C@@H]2Cc3ccc(cc3)OC/C=C/COc3cccc(c3)C(=O)N2)CC1,LIN0488,Amide,5,6.6,MCD06752,MCD06752,N#CC1(NC(=O)[C@H](C[*])NC(=O)[*])CC1 | |
| COc1ccc2c(c1)CC/C=C/COc1ccc(cc1Cl)C[C@@H](C(=O)NC1(C#N)CC1)NC2=O,LIN0488,Amide,5,5.7,MCD06768,MCD06768,N#CC1(NC(=O)[C@H](C[*])NC(=O)[*])CC1 | |
| Cc1ccc2c(n1)SC/C=C/COc1ccc(cc1Cl)C[C@@H](C(=O)NC1(C#N)CC1)NC2=O,LIN0488,Amide,5,5.7,MCD06769,MCD06769,N#CC1(NC(=O)[C@H](C[*])NC(=O)[*])CC1 | |
| COc1ccc2c(c1)CCCCCOc1ccc(cc1Cl)C[C@@H](C(=O)NC1(C#N)CC1)NC2=O,LIN0488,Amide,5,5.7,MCD06772,MCD06772,N#CC1(NC(=O)[C@H](C[*])NC(=O)[*])CC1 | |
| Cc1cc2nn1CC/C=C/COc1ccc(cc1Cl)C[C@@H](C(=O)NC1(C#N)CC1)NC2=O,LIN0488,Amide,5,5.7,MCD12126,MCD12126,N#CC1(NC(=O)[C@H](C[*])NC(=O)[*])CC1 | |
| CC(C)(C)c1cc2nn1CC/C=C/COc1ccc(cc1Cl)C[C@@H](C(=O)NC1(C#N)CC1)NC2=O,LIN0488,Amide,5,5.7,MCD12128,MCD12128,N#CC1(NC(=O)[C@H](C[*])NC(=O)[*])CC1 | |
| CC(C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(=O)O)Cc2ccc(cc2)NC(=O)c2coc1n2,LIN0520,Amide,6,6.7,MCD08128,MCD08128,CC(C)[C@@H]([*])NC(=O)[C@@H](C[*])NC(=O)N[C@@H](CCCCN)C(=O)O | |
| Cc1cc(C)c2cc1C(=O)NCCCNC(=O)CCSc1cc-2nc(N)n1,LIN0563,Amide,11,14.5,MCD08800,MCD08800,O=C([*])NCCCNC(=O)CCS[*] | |
| Cc1cc(C)c2cc1C(=O)NCCCC(=O)NCCSc1cc-2nc(N)n1,LIN0566,Amide,11,13.3,MCD08803,MCD08803,O=C([*])NCCCC(=O)NCCS[*] | |
| Cc1cc(C)c2cc1C(=O)NCCNC(=O)CCCSc1cc-2nc(N)n1,LIN0567,Amide,11,7.7,MCD08804,MCD08804,O=C([*])NCCNC(=O)CCCS[*] | |
| Cc1cc(C)c2cc1C(=O)NCCCCCNC(=O)CCSc1cc-2nc(N)n1,LIN0568,Amide,13,13.8,MCD08805,MCD08805,O=C([*])NCCCCCNC(=O)CCS[*] | |
| Cc1cc(C)c2cc1C(=O)NCCCCNC(=O)CCSc1cc-2nc(N)n1,LIN0569,Amide,12,13,MCD08806,MCD08806,O=C([*])NCCCCNC(=O)CCS[*] | |
| CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)CCCC(=O)N2,LIN0578,Amide,6,8.2,MCD10779,MCD10779,O=C(CCC[*])N[*] | |
| CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc(C(=N)N)cc1)c1ccc(cc1)CCCC(=O)N2,LIN0578,Amide,6,8.2,MCD10780,MCD10780,O=C(CCC[*])N[*] | |
| CC(C)(C)S(=O)(=O)c1ccc2cc1CNC(=O)C(Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2,LIN0578,Amide,6,8.2,MCD10781,MCD10781,O=C(CCC[*])N[*] | |
| CC(C)S(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2,LIN0578,Amide,6,8.2,MCD10782,MCD10782,O=C(CCC[*])N[*] | |
| CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2,LIN0578,Amide,6,8.2,MCD10783,MCD10783,O=C(CCC[*])N[*] | |
| Nc1nccc2cc(N[C@H]3C(=O)NCc4cccc(c4)NC(=O)CCCc4ccc3cc4)ccc12,LIN0579,Amide,5,6,MCD10784,MCD10784,Nc1nccc2cc(N[C@H]([*])C(=O)NC[*])ccc12 | |
| CN1Cc2cccc(c2)NC(=O)OCC(C)(C)c2ccc(cc2)[C@H](Nc2ccc3c(N)nccc3c2)C1=O,LIN0584,Amide,5,6.2,MCD11189,MCD11189,CN(C[*])C(=O)[C@H]([*])Nc1ccc2c(N)nccc2c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)CC(NC(=O)[C@H]1CC[C@H](C)CC1)c1nc-2c[nH]1,LIN0589,Amide,3,3.8,MCD11528,MCD11528,C[C@H]1CC[C@H](C(=O)NC([*])C[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](N1CCC(c3cccc(Cl)c3)OC1=O)c1nc-2c[nH]1,LIN0592,Amide,8,8.8,MCD11532,MCD11532,O=C(CCCC[C@@H]([*])N1CCC(c2cccc(Cl)c2)OC1=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(Cl)ccc(Cl)c3F)NC1=O)c1nc-2c[nH]1,LIN0595,Amide,8,6.4,MCD11535,MCD11535,C[C@H](CCC[C@@H]([*])N1CCC(c2c(Cl)ccc(Cl)c2F)NC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCN(c3cccc(Cl)c3F)CC1=O)c1cc-2ccn1,LIN0596,Amide,8,7.7,MCD11536,MCD11536,C[C@H](CCC[C@@H]([*])N1CCN(c2cccc(Cl)c2F)CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC[C@@H](c3nccc(Cl)c3F)N(C)C1=O)c1nc-2c[nH]1,LIN0599,Amide,8,9.7,MCD11539,MCD11539,C[C@H](CCC[C@@H]([*])N1CC[C@@H](c2nccc(Cl)c2F)N(C)C1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC[C@H](c3nccc(Cl)c3F)N(C)C1=O)c1nc-2c[nH]1,LIN0600,Amide,8,5.6,MCD11540,MCD11540,C[C@H](CCC[C@@H]([*])N1CC[C@H](c2nccc(Cl)c2F)N(C)C1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](N1CC[C@@H](c3c(F)ccc(Cl)c3F)OC1=O)c1ccnc-2c1,LIN0602,Amide,8,9.7,MCD11543,MCD11543,C[C@@H](CCC[C@@H]([*])N1CC[C@@H](c2c(F)ccc(Cl)c2F)OC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C(F)(F)F)ccc(Cl)c3F)OC1=O)c1cc-2ccn1,LIN0603,Amide,8,8.3,MCD11544,MCD11544,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C(F)(F)F)ccc(Cl)c2F)OC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](N1CCC(c3cccc(Cl)c3)CC1=O)c1nc-2c[nH]1,LIN0604,Amide,8,9,MCD11545,MCD11545,O=C(CCCC[C@@H]([*])N1CCC(c2cccc(Cl)c2)CC1=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1cn(-c3cccc(Cl)c3)nn1)c1nc-2c[nH]1,LIN0615,Amide,8,9.2,MCD11561,MCD11561,O=C(CCCC[C@@H]([*])NC(=O)c1cn(-c2cccc(Cl)c2)nn1)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1ccc3c(c1)CCCN3)c1nc-2c[nH]1,LIN0616,Amide,8,9.8,MCD11562,MCD11562,O=C(CCCC[C@@H]([*])NC(=O)c1ccc2c(c1)CCCN2)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1ccc3ncccc3c1)c1nc-2c[nH]1,LIN0617,Amide,8,9.9,MCD11563,MCD11563,O=C(CCCC[C@@H]([*])NC(=O)c1ccc2ncccc2c1)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1cccc3ccccc13)c1nc-2c[nH]1,LIN0618,Amide,8,7.6,MCD11564,MCD11564,O=C(CCCC[C@@H]([*])NC(=O)c1cccc2ccccc12)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)CCC[C@H](NC(=O)c1c(F)cc3c(ncn3C)c1F)c1nc-2c(Cl)[nH]1,LIN0619,Amide,8,7.6,MCD11565,MCD11565,CC(CCC[C@@H]([*])NC(=O)c1c(F)cc2c(ncn2C)c1F)C(=O)N[*] | |
| COC(=O)Nc1cc2c(cc1Cl)-c1nc([nH]c1Cl)[C@@H](NC(=O)c1c(F)cc3c(cnn3C)c1F)CCC[C@H](C)C(=O)N2,LIN0630,Amide,8,7.8,MCD11580,MCD11580,C[C@@H](CCC[C@@H]([*])NC(=O)c1c(F)cc2c(cnn2C)c1F)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1ccc3cccnc3c1)c1nc-2c[nH]1,LIN0637,Amide,8,8.4,MCD11587,MCD11587,O=C(CCCC[C@@H]([*])NC(=O)c1ccc2cccnc2c1)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1c(F)cc(C)cc1F)c1cc-2ccn1,LIN0642,Amide,8,6.9,MCD11594,MCD11594,Cc1cc(F)c(C(=O)N[C@H]([*])CCCCC(=O)N[*])c(F)c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCCC(NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1cc-2nc(C)n1,LIN0643,Amide,8,9.3,MCD11595,MCD11595,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)NC([*])CCCCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(OC)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0652,Amide,8,9.4,MCD11635,MCD11635,COc1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0653,Amide,8,7.6,MCD11636,MCD11636,Cc1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| Cc1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]2CCC[C@@H](C)C(=O)Nc3ccccc3-c3ccnc2c3)CC1,LIN0653,Amide,8,7.6,MCD11681,MCD11681,Cc1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C#N)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0654,Amide,8,4.6,MCD11637,MCD11637,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C#N)ccc(Cl)c3F)=CC1=O)c1cc-2cc(OC)n1,LIN0654,Amide,8,4.6,MCD11657,MCD11657,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C#N)ccc(Cl)c3F)=CC1=O)c1cc-2cc(=O)[nH]1,LIN0654,Amide,8,4.6,MCD11660,MCD11660,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C#N)ccc(Cl)c3F)=CC1=O)c1ccnc-2c1,LIN0654,Amide,8,4.6,MCD11727,MCD11727,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)c1ccc2c(c1)-c1cccc(c1)[C@@H](N1CCC(c3c(C#N)ccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2,LIN0654,Amide,8,4.6,MCD11779,MCD11779,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C#N)ccc(Cl)c3F)=CC1=O)c1cccc-2c1,LIN0654,Amide,8,4.6,MCD11782,MCD11782,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(NC(=O)OC(C)(C)C)cc2NC1=O,LIN0654,Amide,8,4.9,MCD11658,MCD11658,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(C(N)=O)cc2NC1=O,LIN0654,Amide,8,4.9,MCD11663,MCD11663,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)c(F)cc2NC1=O,LIN0654,Amide,8,4.9,MCD11810,MCD11810,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)cccc3C#N)=CC1=O)c1cc-2ccn1,LIN0655,Amide,8,5.4,MCD11638,MCD11638,C[C@H](CCC[C@@H]([*])N1CCC(c2c(F)cccc2C#N)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(F)cccc3C#N)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0655,Amide,8,5.1,MCD11680,MCD11680,C[C@H](CCC[C@@H]([*])N1CCC(c2c(F)cccc2C#N)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3nccc(Cl)c3F)=CC1=O)c1cc-2cc(OC)n1,LIN0656,Amide,8,6.8,MCD11639,MCD11639,C[C@H](CCC[C@@H]([*])N1CCC(c2nccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3nccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0656,Amide,8,6.8,MCD11643,MCD11643,C[C@H](CCC[C@@H]([*])N1CCC(c2nccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3nccc(Cl)c3OC)=CC1=O)c1cc-2cc(OC)n1,LIN0657,Amide,8,8.3,MCD11640,MCD11640,COc1c(Cl)ccnc1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C#N)ccc(C#N)c3F)=CC1=O)c1cc-2cc(OC)n1,LIN0658,Amide,8,5.6,MCD11641,MCD11641,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(C#N)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)c1ccc2c(c1)-c1cccc(c1)[C@@H](N1CCC(c3c(C#N)ccc(C#N)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2,LIN0658,Amide,8,5.6,MCD11837,MCD11837,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(C#N)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(C#N)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0658,Amide,8,6.4,MCD11676,MCD11676,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(C#N)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(C#N)c3F)=CC2=O)c2cc(ccn2)-c2c(ccc(F)c2F)NC1=O,LIN0658,Amide,8,6.4,MCD11808,MCD11808,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(C#N)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(C#N)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)c(F)cc2NC1=O,LIN0658,Amide,8,6.4,MCD11809,MCD11809,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc(C#N)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C#N)ccc4c(N)noc34)=CC1=O)c1cc-2cc(OC)n1,LIN0659,Amide,8,6.2,MCD11642,MCD11642,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc3c(N)noc23)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](n1ncc(-c3c(F)ccc(Cl)c3F)cc1=O)c1cc-2ccn1,LIN0660,Amide,8,5,MCD11644,MCD11644,C[C@H](CCC[C@@H]([*])n1ncc(-c2c(F)ccc(Cl)c2F)cc1=O)C(=O)N[*] | |
| CC1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(C#N)cc2NC1=O,LIN0661,Amide,8,5.7,MCD11654,MCD11654,CC(CCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| CC1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(C(N)=O)cc2NC1=O,LIN0661,Amide,8,5.7,MCD11730,MCD11730,CC(CCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| CC1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(C(=O)O)cc2NC1=O,LIN0661,Amide,8,5.7,MCD11827,MCD11827,CC(CCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)C(=O)NCCCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0662,Amide,8,6.9,MCD11655,MCD11655,O=C([*])NCCCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C(F)(F)F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0663,Amide,8,9.4,MCD11656,MCD11656,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C(F)(F)F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)c1ccc2c(c1)-c1ccnc(c1)[C@@H](N1CCC(c3c(C(F)(F)F)ccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2,LIN0663,Amide,8,9.4,MCD11788,MCD11788,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C(F)(F)F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(C(F)(F)F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0663,Amide,8,9.3,MCD11696,MCD11696,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C(F)(F)F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(C(F)(F)F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(C(=O)O)ccc2NC1=O,LIN0663,Amide,8,9.3,MCD11789,MCD11789,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C(F)(F)F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| CC1CCC[C@H](N2CCC(c3c(Br)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(C(N)=O)cc2NC1=O,LIN0664,Amide,8,8.5,MCD11659,MCD11659,CC(CCC[C@@H]([*])N1CCC(c2c(Br)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| CC1CCC[C@H](N2CCC(c3c(Br)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(-c3nnc[nH]3)cc2NC1=O,LIN0664,Amide,8,8.5,MCD11668,MCD11668,CC(CCC[C@@H]([*])N1CCC(c2c(Br)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| CC1CCC[C@H](N2CCC(c3c(Br)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(C(=O)O)cc2NC1=O,LIN0664,Amide,8,8.5,MCD11823,MCD11823,CC(CCC[C@@H]([*])N1CCC(c2c(Br)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(OC(F)F)ccc(Cl)c3F)=CC1=O)c1ccnc-2c1,LIN0665,Amide,8,8.1,MCD11661,MCD11661,C[C@H](CCC[C@@H]([*])N1CCC(c2c(OC(F)F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(OC(F)F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0665,Amide,8,8.1,MCD11662,MCD11662,C[C@H](CCC[C@@H]([*])N1CCC(c2c(OC(F)F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| CC(=O)c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]2CCCC(C)C(=O)Nc3cc(C(N)=O)ccc3-c3ccnc2c3)CC1,LIN0666,Amide,8,9.3,MCD11664,MCD11664,CC(=O)c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]([*])CCCC(C)C(=O)N[*])CC1 | |
| CC1CCC[C@H](N2CCC(c3cccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(C(N)=O)cc2NC1=O,LIN0667,Amide,8,7.6,MCD11665,MCD11665,CC(CCC[C@@H]([*])N1CCC(c2cccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cc(Cl)ccc3C(F)(F)F)=CC1=O)c1cc-2ccn1,LIN0668,Amide,8,9.3,MCD11666,MCD11666,C[C@H](CCC[C@@H]([*])N1CCC(c2cc(Cl)ccc2C(F)(F)F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(Br)ccc(C)c3F)=CC1=O)c1cc-2ccn1,LIN0669,Amide,8,8.1,MCD11673,MCD11673,Cc1ccc(Br)c(C2=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC2)c1F | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cc(Cl)ccc3OC(F)F)=CC1=O)c1cc-2ccn1,LIN0670,Amide,8,8.1,MCD11674,MCD11674,C[C@H](CCC[C@@H]([*])N1CCC(c2cc(Cl)ccc2OC(F)F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(Br)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0671,Amide,8,6.7,MCD11675,MCD11675,C[C@H](CCC[C@@H]([*])N1CCC(c2c(Br)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(Br)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)ccc2NC1=O,LIN0671,Amide,8,6.7,MCD11764,MCD11764,C[C@H](CCC[C@@H]([*])N1CCC(c2c(Br)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(Br)ccc(Cl)c3F)=CC2=O)c2cccc(c2)-c2cc(C(=O)O)ccc2NC1=O,LIN0671,Amide,8,6.7,MCD11778,MCD11778,C[C@H](CCC[C@@H]([*])N1CCC(c2c(Br)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(Br)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(F)cc(F)cc2NC1=O,LIN0671,Amide,8,6.7,MCD11801,MCD11801,C[C@H](CCC[C@@H]([*])N1CCC(c2c(Br)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(Br)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(ccc(F)c2F)NC1=O,LIN0671,Amide,8,6.7,MCD11803,MCD11803,C[C@H](CCC[C@@H]([*])N1CCC(c2c(Br)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(Br)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)c(F)cc2NC1=O,LIN0671,Amide,8,6.7,MCD11805,MCD11805,C[C@H](CCC[C@@H]([*])N1CCC(c2c(Br)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(Br)ccc(Cl)c3F)=CC1=O)c1cccc-2c1,LIN0671,Amide,8,9.2,MCD11775,MCD11775,C[C@H](CCC[C@@H]([*])N1CCC(c2c(Br)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)c1ccc2c(c1)-c1cccc(c1)[C@@H](N1CCC(c3c(Br)ccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2,LIN0671,Amide,8,9.2,MCD11834,MCD11834,C[C@H](CCC[C@@H]([*])N1CCC(c2c(Br)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3cccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0672,Amide,8,8.1,MCD11677,MCD11677,C[C@H](CCC[C@@H]([*])N1CCC(c2cccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(Cl)c3F)=CC1=O)c1nc-2c(C)[nH]1,LIN0672,Amide,8,6.6,MCD11768,MCD11768,C[C@H](CCC[C@@H]([*])N1CCC(c2cccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)c1ccc2c(c1)-c1cccc(c1)[C@@H](N1CCC(c3cccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2,LIN0672,Amide,8,6.6,MCD11838,MCD11838,C[C@H](CCC[C@@H]([*])N1CCC(c2cccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| CC(=O)c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]2CCC[C@@H](C)C(=O)Nc3ccccc3-c3ccnc2c3)CC1,LIN0673,Amide,8,9.5,MCD11678,MCD11678,CC(=O)c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C(C)=O)ccc(Cl)c3F)=CC1=O)c1cccc-2c1,LIN0673,Amide,8,9.5,MCD11780,MCD11780,CC(=O)c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)c1ccc2c(c1)-c1cccc(c1)[C@@H](N1CCC(c3c(C(C)=O)ccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2,LIN0673,Amide,8,9.5,MCD11781,MCD11781,CC(=O)c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C(C)=O)ccc(Cl)c3F)=CC1=O)c1cc(F)cc-2c1,LIN0673,Amide,8,9.5,MCD11793,MCD11793,CC(=O)c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(C4CC4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0674,Amide,8,8.4,MCD11682,MCD11682,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C3CC3)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(-c4cn[nH]c4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0675,Amide,8,10.1,MCD11685,MCD11685,C[C@H](CCC[C@@H]([*])N1CCC(c2c(-c3cn[nH]c3)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(-c4ccncc4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0676,Amide,8,9.2,MCD11686,MCD11686,C[C@H](CCC[C@@H]([*])N1CCC(c2c(-c3ccncc3)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(-c4ccccc4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0677,Amide,8,6.4,MCD11687,MCD11687,C[C@H](CCC[C@@H]([*])N1CCC(c2c(-c3ccccc3)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(-c4cccnc4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0678,Amide,8,7.5,MCD11688,MCD11688,C[C@H](CCC[C@@H]([*])N1CCC(c2c(-c3cccnc3)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(-c4cnn(C)c4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0679,Amide,8,9.4,MCD11689,MCD11689,C[C@H](CCC[C@@H]([*])N1CCC(c2c(-c3cnn(C)c3)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=C(C)C1=O)c1cc-2ccn1,LIN0680,Amide,8,9.2,MCD11693,MCD11693,CC1=C(c2c(F)ccc(Cl)c2F)CCN([C@H]([*])CCC[C@@H](C)C(=O)N[*])C1=O | |
| C[C@@H]1CCC[C@H](n2ccc(-c3cccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0681,Amide,8,6.6,MCD11694,MCD11694,C[C@H](CCC[C@@H]([*])n1ccc(-c2cccc(Cl)c2F)cc1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](n2ccc(-c3cccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2c(F)cc(F)cc2NC1=O,LIN0681,Amide,8,6.6,MCD11811,MCD11811,C[C@H](CCC[C@@H]([*])n1ccc(-c2cccc(Cl)c2F)cc1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0682,Amide,8,7.9,MCD11695,MCD11695,C[C@H](CCC[C@@H]([*])N1CCC(c2c(N)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(-n4cnnn4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0683,Amide,8,8.4,MCD11697,MCD11697,C[C@H](CCC[C@@H]([*])N1CCC(c2c(-n3cnnn3)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(-n4cnnn4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)c(F)cc2NC1=O,LIN0683,Amide,8,8.4,MCD11812,MCD11812,C[C@H](CCC[C@@H]([*])N1CCC(c2c(-n3cnnn3)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(-n4cnnn4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)ccc2NC1=O,LIN0683,Amide,8,8.4,MCD11840,MCD11840,C[C@H](CCC[C@@H]([*])N1CCC(c2c(-n3cnnn3)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3cncn3)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0684,Amide,8,9,MCD11700,MCD11700,C[C@H](CCC[C@@H]([*])N1CCC(c2cc(Cl)ccc2-n2cncn2)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC(C)C(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0685,Amide,8,7.8,MCD11702,MCD11702,CC1CN([C@H]([*])CCC[C@@H](C)C(=O)N[*])C(=O)C=C1c1c(F)ccc(Cl)c1F | |
| Cc1ncn(-c2ccc(Cl)cc2C2=CC(=O)N([C@H]3CCC[C@@H](C)C(=O)Nc4ccccc4-c4ccnc3c4)CC2)n1,LIN0686,Amide,8,6.6,MCD11703,MCD11703,Cc1ncn(-c2ccc(Cl)cc2C2=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC2)n1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](n1ncc(-c3c(Br)ccc(Cl)c3F)cc1=O)c1cc-2ccn1,LIN0688,Amide,8,8.6,MCD11707,MCD11707,C[C@H](CCC[C@@H]([*])n1ncc(-c2c(Br)ccc(Cl)c2F)cc1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](n1ncc(-c3c(C#N)ccc(Cl)c3F)cc1=O)c1cc-2ccn1,LIN0689,Amide,8,8.1,MCD11708,MCD11708,C[C@H](CCC[C@@H]([*])n1ncc(-c2c(C#N)ccc(Cl)c2F)cc1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](n2ccc(-c3c(F)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=O,LIN0690,Amide,8,7.9,MCD11720,MCD11720,C[C@H](CCC[C@@H]([*])n1ccc(-c2c(F)ccc(Cl)c2F)cc1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](n2ccc(-c3c(F)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2ccc(Nc3ncccn3)cc2NC1=O,LIN0690,Amide,8,7.9,MCD11721,MCD11721,C[C@H](CCC[C@@H]([*])n1ccc(-c2c(F)ccc(Cl)c2F)cc1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](n2ccc(-c3c(F)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2c(F)cccc2NC1=O,LIN0690,Amide,8,7.9,MCD11799,MCD11799,C[C@H](CCC[C@@H]([*])n1ccc(-c2c(F)ccc(Cl)c2F)cc1=O)C(=O)N[*] | |
| CC(C)[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0691,Amide,8,5.8,MCD11723,MCD11723,CC(C)[C@H](CCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(C3CCCCC3)=CC1=O)c1cc-2ccn1,LIN0692,Amide,8,9.1,MCD11724,MCD11724,C[C@H](CCC[C@@H]([*])N1CCC(C2CCCCC2)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cncc(Cl)c3)=CC1=O)c1cc-2ccn1,LIN0693,Amide,8,9.7,MCD11725,MCD11725,C[C@H](CCC[C@@H]([*])N1CCC(c2cncc(Cl)c2)=CC1=O)C(=O)N[*] | |
| CC(C)[C@@H]1CCC[C@H](N2CCC(c3c(-n4cnnn4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0694,Amide,8,7.5,MCD11726,MCD11726,CC(C)[C@H](CCC[C@@H]([*])N1CCC(c2c(-n3cnnn3)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C#N)ccc(C)c3F)=CC1=O)c1cc-2ccn1,LIN0695,Amide,8,5.7,MCD11729,MCD11729,Cc1ccc(C#N)c(C2=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC2)c1F | |
| CC1CCC[C@H](N2CCC(c3c(C(F)(F)F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(C(N)=O)cc2NC1=O,LIN0696,Amide,8,9.1,MCD11731,MCD11731,CC(CCC[C@@H]([*])N1CCC(c2c(C(F)(F)F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| CC1CCC[C@H](N2CCC(c3c(C(F)(F)F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(C(=O)O)cc2NC1=O,LIN0696,Amide,8,9.1,MCD11828,MCD11828,CC(CCC[C@@H]([*])N1CCC(c2c(C(F)(F)F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cc(Cl)ccc3C)=CC1=O)c1cc-2ccn1,LIN0697,Amide,8,5.8,MCD11732,MCD11732,Cc1ccc(Cl)cc1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(C)c3F)=CC1=O)c1cc-2ccn1,LIN0698,Amide,8,9.4,MCD11733,MCD11733,Cc1ccc(F)c(C2=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC2)c1F | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(C)c3F)=CC1=O)c1cc-2ccn1,LIN0699,Amide,8,9.7,MCD11734,MCD11734,Cc1cccc(C2=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC2)c1F | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cc(C)ccc3F)=CC1=O)c1cc-2ccn1,LIN0700,Amide,8,9.5,MCD11735,MCD11735,Cc1ccc(F)c(C2=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC2)c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(C)c3C)=CC1=O)c1cc-2ccn1,LIN0701,Amide,8,7.1,MCD11736,MCD11736,Cc1cccc(C2=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC2)c1C | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(OC)c3F)=CC1=O)c1cc-2ccn1,LIN0702,Amide,8,6.3,MCD11737,MCD11737,COc1cccc(C2=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC2)c1F | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3ccccc3OC)=CC1=O)c1cc-2ccn1,LIN0703,Amide,8,10.1,MCD11738,MCD11738,COc1ccccc1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(Cl)c3C)=CC1=O)c1cc-2ccn1,LIN0704,Amide,8,7,MCD11739,MCD11739,Cc1c(Cl)cccc1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cc(Cl)ccc3OC)=CC1=O)c1cc-2ccn1,LIN0705,Amide,8,4.9,MCD11740,MCD11740,COc1ccc(Cl)cc1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3ccc(OC)c(Cl)c3)=CC1=O)c1cc-2ccn1,LIN0706,Amide,8,7.7,MCD11741,MCD11741,COc1ccc(C2=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC2)cc1Cl | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)(O)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0707,Amide,8,8,MCD11742,MCD11742,CC(O)(CCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)C(=O)CC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0708,Amide,8,8,MCD11754,MCD11754,C[C@H](C(=O)CC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC=C(c3c(F)ccc(Cl)c3F)CC1=O)c1cc-2ccn1,LIN0709,Amide,8,7.6,MCD11759,MCD11759,C[C@H](CCC[C@@H]([*])N1CC=C(c2c(F)ccc(Cl)c2F)CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)C(=O)NCCCCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0710,Amide,9,9.3,MCD11769,MCD11769,O=C([*])NCCCCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(C3CCCC(C)C3)=CC1=O)c1cc-2ccn1,LIN0711,Amide,8,6.6,MCD11770,MCD11770,CC1CCCC(C2=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC2)C1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3ccnc(N)c3)=CC1=O)c1cc-2ccn1,LIN0712,Amide,8,7,MCD11771,MCD11771,C[C@H](CCC[C@@H]([*])N1CCC(c2ccnc(N)c2)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(C3CCNCC3)=CC1=O)c1cc-2ccn1,LIN0713,Amide,8,7.2,MCD11772,MCD11772,C[C@H](CCC[C@@H]([*])N1CCC(C2CCNCC2)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(Cl)n3)=CC1=O)c1cc-2ccn1,LIN0714,Amide,8,6.3,MCD11773,MCD11773,C[C@H](CCC[C@@H]([*])N1CCC(c2cccc(Cl)n2)=CC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(NC(=O)C(F)(F)F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0715,Amide,8,9.5,MCD11783,MCD11783,C[C@H](CCC[C@@H]([*])N1CCC(c2c(NC(=O)C(F)(F)F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)C(F)CC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0716,Amide,8,8.4,MCD11784,MCD11784,C[C@@H](C(=O)N[*])C(F)CC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O | |
| C#Cc1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]2CCC[C@@H](C)C(=O)Nc3cc(NC(=O)OC)ccc3-c3ccnc2c3)CC1,LIN0717,Amide,8,9.5,MCD11785,MCD11785,C#Cc1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(-c4c[nH]nn4)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0718,Amide,8,8.6,MCD11786,MCD11786,C[C@H](CCC[C@@H]([*])N1CCC(c2c(-c3c[nH]nn3)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| CC(=O)Nc1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]2CCC[C@@H](C)C(=O)Nc3ccccc3-c3ccnc2c3)CC1,LIN0719,Amide,8,6.4,MCD11787,MCD11787,CC(=O)Nc1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Br)c3F)=CC1=O)c1cc-2ccn1,LIN0720,Amide,8,7.5,MCD11792,MCD11792,C[C@H](CCC[C@@H]([*])N1CCC(c2c(F)ccc(Br)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0722,Amide,9,10,MCD11815,MCD11815,O=C(CCCCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C#N)ccc4c(N)n[nH]c34)=CC1=O)c1cc-2cc(OC)n1,LIN0723,Amide,8,6.5,MCD11820,MCD11820,C[C@H](CCC[C@@H]([*])N1CCC(c2c(C#N)ccc3c(N)n[nH]c23)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CC(=O)C[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0724,Amide,8,5.8,MCD11822,MCD11822,C[C@H](CC(=O)C[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| Cc1nn(C)cc1-c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]2CCC[C@@H](C)C(=O)Nc3ccccc3-c3ccnc2c3)CC1,LIN0725,Amide,8,6.6,MCD11824,MCD11824,Cc1nn(C)cc1-c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0726,Amide,8,5.8,MCD11825,MCD11825,C[C@H](CCC[C@@H]([*])N1CC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| CC(C)[C@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,LIN0727,Amide,8,6,MCD11826,MCD11826,CC(C)[C@@H](CCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(Cl)c3OC)=CC1=O)c1cc-2ccn1,LIN0728,Amide,8,7.8,MCD11829,MCD11829,COc1c(Cl)cccc1C1=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(OC)c3)=CC1=O)c1cc-2ccn1,LIN0729,Amide,8,5.3,MCD11830,MCD11830,COc1cccc(C2=CC(=O)N([C@H]([*])CCC[C@@H](C)C(=O)N[*])CC2)c1 | |
| C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(C#N)c3F)=CC2=O)c2cc(ccn2)-c2cc(C#N)ccc2NC1=O,LIN0730,Amide,8,9.4,MCD11831,MCD11831,C[C@H](CCC[C@@H]([*])N1CCC(c2c(F)ccc(C#N)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3ccnc(Cl)c3)=CC1=O)c1cc-2ccn1,LIN0731,Amide,8,6.5,MCD11832,MCD11832,C[C@H](CCC[C@@H]([*])N1CCC(c2ccnc(Cl)c2)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(C3CCCCN3C)=CC1=O)c1cc-2ccn1,LIN0732,Amide,8,7.9,MCD11833,MCD11833,C[C@H](CCC[C@@H]([*])N1CCC(C2CCCCN2C)=CC1=O)C(=O)N[*] | |
| COC(=O)c1ccc2c(c1)-c1cccc(c1)[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2,LIN0733,Amide,8,9.7,MCD11836,MCD11836,C[C@H](CCC[C@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)c1ccc2c(c1)-c1cccc(c1)[C@H](N1CCC(c3c(Br)ccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2,LIN0734,Amide,8,5.1,MCD11839,MCD11839,C[C@H](CCC[C@H]([*])N1CCC(c2c(Br)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)C(=O)N[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0735,Amide,8,9.5,MCD11841,MCD11841,C[C@H](CCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)NC(=O)[*] | |
| C[C@@H]1CCC[C@H](n2cnc(-c3cc(Cl)ccc3-n3cc(C(F)(F)F)nn3)cc2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O,LIN0736,Amide,8,8.6,MCD11849,MCD11849,C[C@H](CCC[C@@H]([*])n1cnc(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0742,Amide,9,10.1,MCD12005,MCD12005,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0742,Amide,9,10.1,MCD12006,MCD12006,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCC(=O)N[*] | |
| CCc1cc2cc(CC)c1CCOC(=O)Nc1cccc(c1)CNC(=O)C2Nc1cccc(C(N)=O)c1,LIN0746,Amide,5,6.6,MCD12048,MCD12048,NC(=O)c1cccc(NC([*])C(=O)NC[*])c1 | |
| CCc1cc2ccc1CCOC(=O)Nc1cccc(c1)CNC(=O)C2Nc1cccc(C(N)=O)c1,LIN0746,Amide,5,6.6,MCD12050,MCD12050,NC(=O)c1cccc(NC([*])C(=O)NC[*])c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C[C@H](C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0749,Amide,9,11.2,MCD12168,MCD12168,C[C@H](CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H](C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0750,Amide,9,9.1,MCD12169,MCD12169,C[C@@H](CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H](C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0750,Amide,9,9.1,MCD12170,MCD12170,C[C@@H](CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0753,Amide,8,6.5,MCD12173,MCD12173,C[C@H](CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0753,Amide,8,6.5,MCD12174,MCD12174,C[C@H](CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1cc-2ccn1,LIN0753,Amide,8,6.5,MCD12316,MCD12316,C[C@H](CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0754,Amide,8,6.8,MCD12175,MCD12175,C[C@@H](CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(=O)N[*] | |
| CC[C@@H]1CCC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2NC1=O,LIN0755,Amide,8,9.5,MCD12176,MCD12176,CC[C@H](CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(=O)N[*] | |
| CC[C@@H]1CCC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OC)cc2NC1=O,LIN0755,Amide,8,9.5,MCD12315,MCD12315,CC[C@H](CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(=O)N[*] | |
| CC[C@H]1CCC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2NC1=O,LIN0756,Amide,8,6.1,MCD12177,MCD12177,CC[C@@H](CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C(C)C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0757,Amide,8,8.9,MCD12178,MCD12178,CC(C)[C@H](CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C(C)C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0758,Amide,8,7.8,MCD12179,MCD12179,CC(C)[C@@H](CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1c(F)cc(C)cc1F)c1nc-2c(Cl)[nH]1,LIN0759,Amide,8,6.7,MCD12180,MCD12180,Cc1cc(F)c(C(=O)N[C@H]([*])CCC[C@@H](C)C(=O)N[*])c(F)c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1c(F)cc(C)cc1F)c1cc-2ccn1,LIN0759,Amide,8,6.7,MCD12314,MCD12314,Cc1cc(F)c(C(=O)N[C@H]([*])CCC[C@@H](C)C(=O)N[*])c(F)c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H](C)CCC[C@H](NC(=O)c1c(F)cc(C)cc1F)c1nc-2c(Cl)[nH]1,LIN0760,Amide,9,10.2,MCD12181,MCD12181,Cc1cc(F)c(C(=O)N[C@H]([*])CCC[C@H](C)CC(=O)N[*])c(F)c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCC(C)CC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0762,Amide,9,9,MCD12184,MCD12184,CC(CCC(=O)N[*])CC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC(C)CC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0764,Amide,8,9.8,MCD12186,MCD12186,CC(CC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0765,Amide,9,9.4,MCD12187,MCD12187,CC(CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)[C@H]1CC[C@H](CN)CC1)c1nc-2c[nH]1,LIN0766,Amide,8,6.9,MCD12244,MCD12244,NC[C@H]1CC[C@H](C(=O)N[C@H]([*])CCCCC(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1noc(-c3cccc(Cl)c3F)c1C)c1cc-2ccn1,LIN0767,Amide,8,8.7,MCD12302,MCD12302,Cc1c(C(=O)N[C@H]([*])CCC[C@@H](C)C(=O)N[*])noc1-c1cccc(Cl)c1F | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@H](c3cccc(Cl)c3)OC1=O)c1nc-2c[nH]1,LIN0779,Amide,9,9.1,MCD12381,MCD12381,O=C(CC/C=C/C[C@@H]([*])N1CC[C@H](c2cccc(Cl)c2)OC1=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@H](c3c(F)ccc(Cl)c3F)OC1=O)c1nc-2c(Cl)[nH]1,LIN0783,Amide,9,9.1,MCD12392,MCD12392,O=C(CC/C=C/C[C@@H]([*])N1CC[C@H](c2c(F)ccc(Cl)c2F)OC1=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CCN(c3cccc(Cl)c3)CC1=O)c1nc-2c[nH]1,LIN0786,Amide,9,10,MCD12388,MCD12388,O=C(CC/C=C/C[C@@H]([*])N1CCN(c2cccc(Cl)c2)CC1=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@H](c3cc(Cl)ccc3F)OC1=O)c1nc-2c(Cl)[nH]1,LIN0787,Amide,9,9.3,MCD12390,MCD12390,O=C(CC/C=C/C[C@@H]([*])N1CC[C@H](c2cc(Cl)ccc2F)OC1=O)N[*] | |
| N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NC(=O)CCc3ccccc3)C(=O)N2)cc1,LIN0790,Amide,7,5.1,MCD12410,MCD12410,N=C(N)c1ccc(CNC(=O)[C@H](C[*])NC(=O)[C@@H](C[*])NC(=O)CCc2ccccc2)cc1 | |
| CN(C)S(=O)(=O)N[C@@H]1Cc2ccc(cc2)NC(=O)CN2CCN(CC2)CC(=O)Nc2ccc(cc2)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)NC1=O,LIN0794,Amide,7,5.1,MCD12425,MCD12425,CN(C)S(=O)(=O)N[C@H](C[*])C(=O)N[C@@H](C[*])C(=O)NCc1ccc(C(=N)N)cc1 | |
| N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)NC3CCCCC3)C(=O)N2)cc1,LIN0795,Amide,7,5.3,MCD12427,MCD12427,N=C(N)c1ccc(CNC(=O)[C@H](C[*])NC(=O)[C@@H](C[*])NS(=O)(=O)NC2CCCCC2)cc1 | |
| N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)c3ccccc3)C(=O)N2)cc1,LIN0796,Amide,7,5.5,MCD12429,MCD12429,N=C(N)c1ccc(CNC(=O)[C@H](C[*])NC(=O)[C@@H](C[*])NS(=O)(=O)c2ccccc2)cc1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC[C@H](c3c(F)ccc(Cl)c3F)OC1=O)c1ncc-2[nH]1,LIN0808,Amide,8,9.1,MCD12552,MCD12552,C[C@H](CCC[C@@H]([*])N1CC[C@H](c2c(F)ccc(Cl)c2F)OC1=O)C(=O)N[*] | |
| C[C@@H]1CCC[C@H](N2CC[C@H](c3c(F)ccc(Cl)c3F)OC2=O)c2cc(ccn2)-c2cc(C(=O)O)ccc2NC1=O,LIN0808,Amide,8,7.2,MCD18066,MCD18066,C[C@H](CCC[C@@H]([*])N1CC[C@H](c2c(F)ccc(Cl)c2F)OC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)NC1=O)c1cc-2ccn1,LIN0809,Amide,8,7,MCD12557,MCD12557,C[C@H](CCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)NC1=O)C(=O)N[*] | |
| O=CC(Cc1ccccc1)NC(=O)C1Cc2ccc(cc2)OCCCCOc2ccc(cc2)CCC(=O)c2ccc([nH]2)C(=O)N1,LIN0819,Amide,5,6.9,MCD12966,MCD12966,O=CC(Cc1ccccc1)NC(=O)C(C[*])NC(=O)[*] | |
| CNC(=O)C1Cc2ccc(cc2)NC(=O)C(NC(=O)c2ccnn2C)Cc2cc(ccc2Cl)Oc2ccc(cc2)C2(CCCC2)CC(=O)N1,LIN0820,Amide,7,8.7,MCD13001,MCD13001,CNC(=O)C(C[*])NC(=O)CC1([*])CCCC1 | |
| CNC(=O)C1Cc2ccc(cc2)NC(=O)C(NC(=O)c2ccnn2C)Cc2cc(ccc2Cl)-c2cccc(c2)CCC(=O)N1,LIN0821,Amide,7,7.2,MCD13002,MCD13002,CNC(=O)C(C[*])NC(=O)CC[*] | |
| CC(C)C(O)C(=O)NC1Cc2ccc3c(c2)C2(c4cc(F)ccc4NC2O3)c2oc(nc2-c2nc(CO)co2)C(C(C)(C)C)NC1=O,LIN0824,Amide,6,6.7,MCD13011,MCD13011,CC(C)C(O)C(=O)NC(C[*])C(=O)NC([*])C(C)(C)C | |
| O=C1NCCCCn2cc(cn2)-c2cnc3ccc(cc3c2)CCn2nc(ccc2=O)-c2ccc1c(C(F)(F)F)c2,LIN0836,Amide,7,9.1,MCD13278,MCD13278,O=C([*])NCCCC[*] | |
| O=C1CCc2cccc(c2)-c2cncc(c2)NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(c2)CN1,LIN0877,Amide,6,6.2,MCD14555,MCD14555,O=C(CC[*])NC[*] | |
| O=C1CCc2ccc(cc2)Oc2cc(ccc2O)CCCCN1,LIN0890,Amide,9,10.2,MCD16022,MCD16022,O=C(CC[*])NCCCC[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)CCC[C@H](N1CC[C@H](c3c(F)ccc(Cl)c3F)OC1=O)c1cc-2cnn1,LIN0913,Amide,8,5.1,MCD18065,MCD18065,CC(CCC[C@@H]([*])N1CC[C@H](c2c(F)ccc(Cl)c2F)OC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCCC(N1CC(=O)N(c3c(C(F)(F)F)ccc(Cl)c3F)CC1=O)c1cc-2ccn1,LIN0914,Amide,8,9.5,MCD18067,MCD18067,C[C@H](CCCC([*])N1CC(=O)N(c2c(C(F)(F)F)ccc(Cl)c2F)CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3nccc(Cl)c3F)NC1=O)c1nc-2c[nH]1,LIN0916,Amide,8,8.2,MCD18069,MCD18069,C[C@H](CCC[C@@H]([*])N1CCC(c2nccc(Cl)c2F)NC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC[C@@H](c3c(F)ccc(Cl)c3F)NC1=O)c1nc-2c[nH]1,LIN0917,Amide,8,8.5,MCD18070,MCD18070,C[C@H](CCC[C@@H]([*])N1CC[C@@H](c2c(F)ccc(Cl)c2F)NC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC[C@@H](c3c(F)ccc(Cl)c3F)OC1=O)c1cc-2ccn1,LIN0918,Amide,8,6.1,MCD18071,MCD18071,C[C@H](CCC[C@@H]([*])N1CC[C@@H](c2c(F)ccc(Cl)c2F)OC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(Cl)c3)CC1=O)c1cc-2ccn1,LIN0919,Amide,8,7.6,MCD18072,MCD18072,C[C@H](CCC[C@@H]([*])N1CCC(c2cccc(Cl)c2)CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)CCC[C@H](NC(=O)c1c(F)cc3c(ccn3C)c1F)c1nc-2c(Cl)[nH]1,LIN0920,Amide,8,5.9,MCD18073,MCD18073,CC(CCC[C@@H]([*])NC(=O)c1c(F)cc2c(ccn2C)c1F)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C/C=C/C[C@H](NC(=O)c1ccc3c(c1)CCNC3)c1nc-2c[nH]1,LIN0921,Amide,8,6.4,MCD18075,MCD18075,O=C(C/C=C/C[C@@H]([*])NC(=O)c1ccc2c(c1)CCNC2)N[*] | |
| Cc1cc(C)c2cc1C(O)=NCCCN=C(O)CCSc1cc-2[nH]c(=N)n1,LIN0932,Amide,11,8.7,MCD18463,MCD18463,OC([*])=NCCCN=C(O)CCS[*] | |
| Cc1cc(C)c2cc1C(O)=NCCCOc1cccc(c1)Sc1cc-2[nH]c(=N)n1,LIN0933,Amide,7,7.2,MCD18470,MCD18470,OC([*])=NCCCO[*] | |
| Nc1nccc2cc(N[C@H]3C(O)=NCc4cccc(c4)N=C(O)CCCc4ccc3cc4)ccc12,LIN0937,Amide,5,5.2,MCD18536,MCD18536,Nc1nccc2cc(N[C@H]([*])C(O)=NC[*])ccc12 | |
| COC(O)=Nc1ccc2c(c1)N=C(O)CC/C=C/C[C@H](N1CC[C@H](c3cccc(Cl)c3)OC1=O)c1ncc-2[nH]1,LIN0941,Amide,9,7.6,MCD18594,MCD18594,O=C1O[C@@H](c2cccc(Cl)c2)CCN1[C@H]([*])C/C=C/CCC(O)=N[*] | |
| CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCn3cc(ccc3=O)C(O)=N1)CC1(CCC1)O2,LIN0945,Amide,5,5.3,MCD18625,MCD18625,CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@H](C[*])N=C(O)[*])CC1(CCC1)O2 | |
| COC(O)=Nc1ccc2c(c1)N=C(O)CCCC[C@H](N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1,LIN0946,Amide,8,7.2,MCD18628,MCD18628,OC(/C=C/c1cc(Cl)ccc1-n1cnnn1)=N[C@H]([*])CCCCC(O)=N[*] | |
| COC(O)=Nc1ccc2c(c1)N=C(O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0948,Amide,8,8,MCD18638,MCD18638,C[C@H](CCC[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(O)=N[*] | |
| COC(O)=Nc1ccc2c(c1)N=C(O)CC/C=C/C[C@H](N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1,LIN0949,Amide,9,9.8,MCD18639,MCD18639,OC(/C=C/c1cc(Cl)ccc1-n1cnnn1)=N[C@H]([*])C/C=C/CCC(O)=N[*] | |
| COC(O)=Nc1ccc2c(c1)N=C(O)CCCCC[C@H](N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1,LIN0950,Amide,9,10.1,MCD18640,MCD18640,OC(/C=C/c1cc(Cl)ccc1-n1cnnn1)=N[C@H]([*])CCCCCC(O)=N[*] | |
| C[C@@H]1CCC[C@H](n2cnc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc2=O)c2cc(ccn2)-c2c(cnn2C(F)F)N=C1O,LIN0951,Amide,8,8,MCD18651,MCD18651,C[C@H](CCC[C@@H]([*])n1cnc(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O)C(O)=N[*] | |
| COC(O)=Nc1ccc2c(c1)N=C(O)[C@H](C)CCC[C@H](N=C(O)c1ncn(-c3cccc(Cl)c3F)c1C)c1cc-2ccn1,LIN0952,Amide,8,9,MCD18663,MCD18663,Cc1c(C(O)=N[C@H]([*])CCC[C@@H](C)C(O)=N[*])ncn1-c1cccc(Cl)c1F | |
| COC(O)=Nc1ccc2c(c1)N=C(O)C[C@@H](C)CCC[C@H](N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1,LIN0954,Amide,9,10.5,MCD18666,MCD18666,C[C@@H](CCC[C@@H]([*])N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC(O)=N[*] | |
| CC[C@@H]1CCC[C@H](N=C(O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2ncc([nH]2)-c2ccc(N=C(O)OC)cc2N=C1O,LIN0955,Amide,8,8.3,MCD18667,MCD18667,CC[C@H](CCC[C@@H]([*])N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(O)=N[*] | |
| COC(O)=Nc1ccc2c(c1)N=C(O)[C@H](C)CCC[C@H](N=C(O)c1cnn(-c3cccc(Cl)c3F)c1N)c1cc-2ccn1,LIN0956,Amide,8,8.1,MCD18668,MCD18668,C[C@H](CCC[C@@H]([*])N=C(O)c1cnn(-c2cccc(Cl)c2F)c1N)C(O)=N[*] | |
| CCC[C@H](O)[C@H](NC[C@@H]1Cc2cccc(c2)CCCCc2cc(cc(N(CCC)S(C)(=O)=O)c2)C(O)=N1)C(O)=NCC(C)C,LIN0959,Amide,5,5.7,MCD18688,MCD18688,CCC[C@H](O)[C@H](NC[C@H](C[*])N=C(O)[*])C(O)=NCC(C)C | |
| N=C(N)NCCC[C@@H]1N=C(O)Cc2cccn2C(=O)CN(Cc2ccco2)Cc2ccccc2CSC[C@@H](C(=N)O)N=C1O,LIN0960,Amide,11,10.3,MCD18694,MCD18694,N=C(N)NCCC[C@H](N=C(O)C[*])C(O)=N[C@@H](CSC[*])C(=N)O | |
| C[C@@H]1CC(=O)Nc2ccc(S(=O)(=O)C3CC3)c(c2)CN(C)C(=O)[C@H](Nc2ccc3c(=N)[nH]cc(F)c3c2)c2ccc(OCC(F)F)c1c2,LIN0963,Amide,5,6.2,MCD18761,MCD18761,CN(C[*])C(=O)[C@@H]([*])Nc1ccc2c(=N)[nH]cc(F)c2c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)[C@H]1CC[C@H](CN)CC1)c1cc-2ccn1,LIN0209,"Amide,Double bond",9,9.8,MCD00157,MCD00157,NC[C@H]1CC[C@H](C(=O)N[C@H]([*])C/C=C/CCC(=O)N[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/CC(NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1cccc-2c1,LIN0210,"Amide,Double bond",9,10.2,MCD00158,MCD00158,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)NC([*])C/C=C/CCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/CC(NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1cc(Cl)nnc1-2,LIN0210,"Amide,Double bond",9,10.2,MCD11554,MCD11554,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)NC([*])C/C=C/CCC(=O)N[*] | |
| O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1C/C=C/CCC(=O)Nc2ccc(F)cc2-c2nc1[nH]c2Cl,LIN0227,"Amide,Double bond",9,10.3,MCD00183,MCD00183,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CCC(=O)N[*] | |
| O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1C/C=C/CCC(=O)Nc2ccccc2-c2nnc1o2,LIN0227,"Amide,Double bond",9,10.3,MCD11555,MCD11555,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CCC(=O)N[*] | |
| COC(=O)c1ccc2c(c1)-c1c[nH]c(n1)[C@@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C/C=C/CCC(=O)N2,LIN0227,"Amide,Double bond",9,10.3,MCD11591,MCD11591,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0227,"Amide,Double bond",9,10.3,MCD12008,MCD12008,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0227,"Amide,Double bond",9,10.3,MCD12009,MCD12009,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CCC(=O)N[*] | |
| O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1C/C=C/CCC(=O)Nc2ccccc2-c2c[nH]c1n2,LIN0227,"Amide,Double bond",9,10.3,MCD12530,MCD12530,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)c1ccc(C(=N)N)cc1)c1cc-2ccn1,LIN0231,"Amide,Double bond",9,8.9,MCD00189,MCD00189,N=C(N)c1ccc(C(=O)N[C@H]([*])C/C=C/CCC(=O)N[*])cc1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC(C)C=CCC(NC(=O)c1c(F)cc(C)cc1F)c1nc-2c(Cl)[nH]1,LIN0267,"Amide,Double bond",9,8.8,MCD00292,MCD00292,Cc1cc(F)c(C(=O)NC([*])CC=CC(C)CC(=O)N[*])c(F)c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC(C)C=CCC(NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0269,"Amide,Double bond",9,10.2,MCD00294,MCD00294,CC(C=CCC([*])NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)CC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCC=CCC(NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0274,"Amide,Double bond",9,7.9,MCD00299,MCD00299,O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)NC([*])CC=CCCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCC=CCC(N1CCC(c3cccc(Cl)c3)CC1=O)c1nc-2c[nH]1,LIN0292,"Amide,Double bond",9,9,MCD00434,MCD00434,O=C(CCC=CCC([*])N1CCC(c2cccc(Cl)c2)CC1=O)N[*] | |
| CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1[nH]c2nc1C(=O)NCCC/C=C\c1cccc-2c1,LIN0551,"Amide,Double bond",8,8.8,MCD08310,MCD08310,O=C([*])NCCC/C=C\[*] | |
| CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1[nH]c2nc1C(=O)NCCC/C=C/c1cccc-2c1,LIN0552,"Amide,Double bond",8,7.9,MCD08311,MCD08311,O=C([*])NCCC/C=C/[*] | |
| O=C1CC/C=C/CCC(=O)Nc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)NC(=O)Cc2cccc(c2)N1,LIN0558,"Amide,Double bond",11,14,MCD08445,MCD08445,O=C(CC/C=C/CCC(=O)N[*])N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CCC(C)(c3c(F)ccc(Cl)c3F)OC1=O)c1nc-2c(Cl)[nH]1,LIN0597,"Amide,Double bond",9,9.1,MCD11537,MCD11537,CC1(c2c(F)ccc(Cl)c2F)CCN([C@H]([*])C/C=C/CCC(=O)N[*])C(=O)O1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CCC(c3cc(Cl)ccn3)NC1=O)c1nc-2c[nH]1,LIN0598,"Amide,Double bond",9,9.1,MCD11538,MCD11538,O=C(CC/C=C/C[C@@H]([*])N1CCC(c2cc(Cl)ccn2)NC1=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@H](c3cc(Cl)ccc3OC(F)F)OC1=O)c1nc-2c[nH]1,LIN0601,"Amide,Double bond",9,7,MCD11541,MCD11541,O=C(CC/C=C/C[C@@H]([*])N1CC[C@H](c2cc(Cl)ccc2OC(F)F)OC1=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CCN(c3cccc(Cl)c3)C(C)C1=O)c1nc-2c[nH]1,LIN0605,"Amide,Double bond",9,9.3,MCD11546,MCD11546,CC1C(=O)N([C@H]([*])C/C=C/CCC(=O)N[*])CCN1c1cccc(Cl)c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)c1ccc(C#N)cc1)c1nc-2c(Cl)[nH]1,LIN0611,"Amide,Double bond",9,7,MCD11556,MCD11556,N#Cc1ccc(C(=O)N[C@H]([*])C/C=C/CCC(=O)N[*])cc1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC(O)C(O)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0612,"Amide,Double bond",8,9.8,MCD11557,MCD11557,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CC(O)C(O)CC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C/C=C/CC(NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1cc-2nc(C)n1,LIN0613,"Amide,Double bond",8,7.5,MCD11559,MCD11559,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)NC([*])C/C=C/CC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1cc(-c3cccc(Cl)c3)no1)c1nc-2c[nH]1,LIN0614,"Amide,Double bond",8,7.2,MCD11560,MCD11560,O=C(CCCC[C@@H]([*])NC(=O)c1cc(-c2cccc(Cl)c2)no1)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)/C=C\CC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0625,"Amide,Double bond",8,7.5,MCD11574,MCD11574,O=C(/C=C\CC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C/C=C/C[C@H](NC(=O)c1ccc3c(c1)CCC[C@H]3N)c1nc-2c[nH]1,LIN0631,"Amide,Double bond",8,7.2,MCD11581,MCD11581,N[C@@H]1CCCc2cc(C(=O)N[C@H]([*])C/C=C/CC(=O)N[*])ccc21 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C/C=C/C[C@H](NC(=O)c1ccc3c(c1)CCC[C@@H]3N)c1nc-2c[nH]1,LIN0632,"Amide,Double bond",8,7.2,MCD11582,MCD11582,N[C@H]1CCCc2cc(C(=O)N[C@H]([*])C/C=C/CC(=O)N[*])ccc21 | |
| Cc1cc(F)c(C(=O)N[C@H]2C/C=C/CCC(=O)Nc3cc(NC(=O)OCCN(C)C)ccc3-c3nc2[nH]c3Cl)c(F)c1,LIN0633,"Amide,Double bond",9,8.8,MCD11583,MCD11583,Cc1cc(F)c(C(=O)N[C@H]([*])C/C=C/CCC(=O)N[*])c(F)c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)c1c(F)cc(C)cc1F)c1nc-2c(Cl)[nH]1,LIN0633,"Amide,Double bond",9,8.8,MCD12183,MCD12183,Cc1cc(F)c(C(=O)N[C@H]([*])C/C=C/CCC(=O)N[*])c(F)c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)/C=C/c1cccc(Cl)c1)c1nc-2c(Cl)[nH]1,LIN0641,"Amide,Double bond",9,10.4,MCD11593,MCD11593,O=C(/C=C/c1cccc(Cl)c1)N[C@H]([*])C/C=C/CCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)/C=C/c1cccc(Cl)c1)c1nc-2c[nH]1,LIN0641,"Amide,Double bond",9,10.4,MCD12380,MCD12380,O=C(/C=C/c1cccc(Cl)c1)N[C@H]([*])C/C=C/CCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)/C=C/C[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0687,"Amide,Double bond",8,6.9,MCD11706,MCD11706,C[C@H](/C=C/C[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)C(=O)NCC/C=C/C[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,LIN0721,"Amide,Double bond",9,8.5,MCD11813,MCD11813,O=C([*])NCC/C=C/C[C@@H]([*])N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C\C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0743,"Amide,Double bond",9,10.4,MCD12007,MCD12007,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C\CCC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0745,"Amide,Double bond",8,8.7,MCD12014,MCD12014,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C[C@H](C)/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0751,"Amide,Double bond",9,8.5,MCD12171,MCD12171,C[C@H](/C=C/C[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H](C)/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0752,"Amide,Double bond",9,9.7,MCD12172,MCD12172,C[C@@H](/C=C/C[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H](C)/C=C/C[C@H](NC(=O)c1c(F)cc(C)cc1F)c1nc-2c(Cl)[nH]1,LIN0761,"Amide,Double bond",9,9.3,MCD12182,MCD12182,Cc1cc(F)c(C(=O)N[C@H]([*])C/C=C/[C@H](C)CC(=O)N[*])c(F)c1 | |
| COC(=O)Nc1ccc2c(c1)NC(=O)C(C)C/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0763,"Amide,Double bond",9,7.9,MCD12185,MCD12185,CC(C/C=C/C[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CCC(c3cccc(Cl)c3)NC1=O)c1nc-2c[nH]1,LIN0781,"Amide,Double bond",9,8.9,MCD12383,MCD12383,O=C(CC/C=C/C[C@@H]([*])N1CCC(c2cccc(Cl)c2)NC1=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@H](c3cccc(Cl)c3)CC1=O)c1nc-2c[nH]1,LIN0782,"Amide,Double bond",9,10.4,MCD12384,MCD12384,O=C(CC/C=C/C[C@@H]([*])N1CC[C@H](c2cccc(Cl)c2)CC1=O)N[*] | |
| CN1CCC/C=C\CCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O,LIN0928,"Amide,Double bond",13,12.2,MCD18445,MCD18445,CN(CCC/C=C\CCCC(=O)C[*])C(=O)[*] | |
| CN1CC/C=C/CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O,LIN0929,"Amide,Double bond",14,10.4,MCD18451,MCD18451,CN(CC/C=C/CCCCCC(=O)C[*])C(=O)[*] | |
| CN1CC/C=C/CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O,LIN0931,"Amide,Double bond",15,14.9,MCD18458,MCD18458,CN(CC/C=C/CCCCCCC(=O)C[*])C(=O)[*] | |
| COC(O)=Nc1ccc2c(c1)N=C(O)C[C@@H](C)/C=C/C[C@H](N=C(O)c1c(F)cc(C)cc1F)c1nc-2c(Cl)[nH]1,LIN0938,"Amide,Double bond",9,7.2,MCD18584,MCD18584,Cc1cc(F)c(C(O)=N[C@H]([*])C/C=C/[C@H](C)CC(O)=N[*])c(F)c1 | |
| COC(O)=Nc1ccc2c(c1)N=C(O)CC/C=C/C[C@H](N1CC[C@H](c3cccc(Cl)c3)CC1=O)c1ncc-2[nH]1,LIN0940,"Amide,Double bond",9,8.4,MCD18593,MCD18593,O=C1C[C@@H](c2cccc(Cl)c2)CCN1[C@H]([*])C/C=C/CCC(O)=N[*] | |
| COC(O)=Nc1ccc2c(c1)N=C(O)C[C@@H](C)/C=C/C[C@H](N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1,LIN0953,"Amide,Double bond",9,9.6,MCD18665,MCD18665,C[C@@H](/C=C/C[C@@H]([*])N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC(O)=N[*] | |
| O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1C/C=C/COC(=O)Nc2ccccc2-c2nc1[nH]c2Cl,LIN0211,"Amide,Ester",9,9.4,MCD00159,MCD00159,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/COC(=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(=O)OC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0211,"Amide,Ester",9,9.4,MCD12011,MCD12011,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/COC(=O)N[*] | |
| CCc1cc2ccc1CCOC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(c1)CN(C)C(=O)C2Nc1cccc(C(N)=O)c1,LIN0272,"Amide,Ester",6,7.5,MCD00297,MCD00297,O=C(N[*])OCC[*] | |
| Cc1cc2cc(C)c1CCOC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1,LIN0272,"Amide,Ester",6,7.5,MCD12040,MCD12040,O=C(N[*])OCC[*] | |
| CCc1cc2ccc1CCOC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1cccc(C(N)=O)c1,LIN0272,"Amide,Ester",6,7.5,MCD12041,MCD12041,O=C(N[*])OCC[*] | |
| Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@H]1CCCN1C(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1,LIN0272,"Amide,Ester",6,7.5,MCD12043,MCD12043,O=C(N[*])OCC[*] | |
| CCOC(=O)C[C@H]1NC(=O)[C@H](Nc2ccc3cc[nH]c(=O)c3c2)c2cc(C)c(c(C)c2)CCOC(=O)Nc2cccc1c2,LIN0272,"Amide,Ester",6,7.5,MCD12044,MCD12044,O=C(N[*])OCC[*] | |
| Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@@H](CC(=O)O)NC(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1,LIN0272,"Amide,Ester",6,7.5,MCD12045,MCD12045,O=C(N[*])OCC[*] | |
| CCc1cc2ccc1CCOC(=O)Nc1ccc(SC(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1cccc(C(N)=O)c1,LIN0272,"Amide,Ester",6,7.5,MCD12046,MCD12046,O=C(N[*])OCC[*] | |
| Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)CN(C)C(=O)C2Nc1ccc2cc[nH]c(=O)c2c1,LIN0272,"Amide,Ester",6,7.5,MCD12047,MCD12047,O=C(N[*])OCC[*] | |
| CCc1cc2ccc1CCOC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1cccc(C(=N)O)c1,LIN0272,"Amide,Ester",6,7.5,MCD18643,MCD18643,O=C(N[*])OCC[*] | |
| CC(C)S(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1cc(F)c3c(N)nccc3c1)c1ccc(cc1)CCOC(=O)N2,LIN0272,"Amide,Ester",6,7.9,MCD11601,MCD11601,O=C(N[*])OCC[*] | |
| CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCOC(=O)N2,LIN0272,"Amide,Ester",6,7.9,MCD11602,MCD11602,O=C(N[*])OCC[*] | |
| CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1cc(C)c(c(C)c1)CCOC(=O)N2,LIN0272,"Amide,Ester",6,7.9,MCD11603,MCD11603,O=C(N[*])OCC[*] | |
| CC(C)S(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1cccc(C(N)=O)c1)c1ccc(cc1)CCOC(=O)N2,LIN0272,"Amide,Ester",6,7.9,MCD12049,MCD12049,O=C(N[*])OCC[*] | |
| Cc1cc2ccc1C(C)COC(=O)Nc1ccc(C3(c4nnn[nH]4)CC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)nccc2c1,LIN0278,"Amide,Ester",6,6.8,MCD00303,MCD00303,CC([*])COC(=O)N[*] | |
| CC1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2,LIN0278,"Amide,Ester",6,7.9,MCD11185,MCD11185,CC([*])COC(=O)N[*] | |
| Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1,LIN0317,"Amide,Ester",6,6.8,MCD00731,MCD00731,C[C@H]([*])COC(=O)N[*] | |
| Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1,LIN0317,"Amide,Ester",6,6.8,MCD11210,MCD11210,C[C@H]([*])COC(=O)N[*] | |
| COc1cc2c(F)cc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1cc2ccnc(N)c2cc1F,LIN0317,"Amide,Ester",6,6.8,MCD11622,MCD11622,C[C@H]([*])COC(=O)N[*] | |
| Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CCCCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(=N)[nH]cc(F)c2c1,LIN0317,"Amide,Ester",6,6.8,MCD18762,MCD18762,C[C@H]([*])COC(=O)N[*] | |
| C[C@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2,LIN0317,"Amide,Ester",6,7.4,MCD11186,MCD11186,C[C@H]([*])COC(=O)N[*] | |
| CCOP(=O)(O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2,LIN0317,"Amide,Ester",6,7.4,MCD11211,MCD11211,C[C@H]([*])COC(=O)N[*] | |
| CCOP(=O)(OCC)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2,LIN0317,"Amide,Ester",6,7.4,MCD11212,MCD11212,C[C@H]([*])COC(=O)N[*] | |
| COC(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2,LIN0317,"Amide,Ester",6,7.4,MCD11217,MCD11217,C[C@H]([*])COC(=O)N[*] | |
| CCS(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)ncc(F)c3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2,LIN0317,"Amide,Ester",6,7.4,MCD11605,MCD11605,C[C@H]([*])COC(=O)N[*] | |
| CC[C@@H](C(=O)O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)ncc(F)c3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2,LIN0317,"Amide,Ester",6,7.4,MCD11613,MCD11613,C[C@H]([*])COC(=O)N[*] | |
| [C-]#[N+]C1(COc2c(F)cc3cc2CN(C)C(=O)[C@H](Nc2ccc4c(N)nccc4c2)c2ccc(c(C)c2)[C@@H](C)COC(=O)N3)CC1,LIN0317,"Amide,Ester",6,7.4,MCD11616,MCD11616,C[C@H]([*])COC(=O)N[*] | |
| COCCCOc1c(F)cc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2,LIN0317,"Amide,Ester",6,7.4,MCD11624,MCD11624,C[C@H]([*])COC(=O)N[*] | |
| COC[C@H](C)Oc1c(F)cc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2,LIN0317,"Amide,Ester",6,7.4,MCD11632,MCD11632,C[C@H]([*])COC(=O)N[*] | |
| Cc1cc(C)c2cc1C(=O)NCCNC(=O)OCCSc1cc-2nc(N)n1,LIN0564,"Amide,Ester",11,10.9,MCD08801,MCD08801,O=C([*])NCCNC(=O)OCCS[*] | |
| Cc1cc(C)c2cc1C(=O)NCCOC(=O)NCCSc1cc-2nc(N)n1,LIN0565,"Amide,Ester",11,13.1,MCD08802,MCD08802,O=C([*])NCCOC(=O)NCCS[*] | |
| C[C@@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2,LIN0582,"Amide,Ester",6,6.5,MCD11187,MCD11187,C[C@@H]([*])COC(=O)N[*] | |
| Cc1cc2cc(C)c1CC(O)CC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1,LIN0648,"Amide,Ester",6,6.1,MCD11604,MCD11604,O=C(CC(O)C[*])N[*] | |
| Cc1cc2cc(C)c1C(F)(F)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1,LIN0649,"Amide,Ester",6,6.9,MCD11607,MCD11607,O=C(N[*])OCC(F)(F)[*] | |
| Cc1cc2ccc1[C@@H](C(F)F)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1,LIN0650,"Amide,Ester",6,6.9,MCD11614,MCD11614,O=C(N[*])OC[C@@H]([*])C(F)F | |
| Cc1cc2ccc1[C@@H](CF)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1,LIN0651,"Amide,Ester",6,6.4,MCD11621,MCD11621,O=C(N[*])OC[C@@H]([*])CF | |
| CC1(C)COC(=O)Nc2cccc(c2)CNC(=O)[C@@H](Nc2ccc3c(N)nccc3c2)c2ccc1cc2,LIN0583,"Amide,Ester",6,6.8,MCD11188,MCD11188,CC(C)([*])COC(=O)N[*] | |
| CC1(C)COC(=O)Nc2cccc(c2)CNC(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc1cc2,LIN0583,"Amide,Ester",6,6.8,MCD11190,MCD11190,CC(C)([*])COC(=O)N[*] | |
| O=C1NCCCNC(=O)c2cccc(n2)Nc2cc([nH]n2)C2CCC(C2)O1,LIN0837,"Amide,Ester,Ring structure ",12,13.3,MCD13279,MCD13279,O=C([*])NCCCNC(=O)OC1CCC([*])C1 | |
| O=C1COc2cccc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1,LIN0874,"Amide,Ether",5,5.2,MCD14552,MCD14552,O=C(CO[*])N[*] | |
| N#C[C@]1(C2CC2)C(=O)N2C[C@H]1COCC(=O)NCCc1cccc(n1)Nc1cc2ccn1,LIN0099,"Amide,Ring structure ",11,9.3,MCD08110,MCD08110,N#C[C@]1(C2CC2)C(=O)N([*])C[C@H]1COCC(=O)NCC[*] | |
| COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CN(CCO1)c1ncnc3c(C)c-2sc13,LIN0145,"Amide,Ring structure ",7,8,MCD08536,MCD08536,O=C([*])NC[C@@H]1CN([*])CCO1 | |
| Cc1ccc2c(c1)C(=O)N1CCCC[C@H]1c1cc3nc([C@H]4C[C@H](O)C4)cc(n3n1)N(C)CCNC(=O)CO2,LIN0246,"Amide,Ring structure ",4,5,MCD00238,MCD00238,O=C([*])N1CCCC[C@H]1[*] | |
| O=C1COc2ccc(Cl)cc2CNC(=O)C2CCCN2C(=O)C(C2CCCCC2)NC(=O)CCN1,LIN0280,"Amide,Ring structure ",16,9.3,MCD00316,MCD00316,O=C(CO[*])NCCC(=O)NC(C(=O)N1CCCC1C(=O)NC[*])C1CCCCC1 | |
| Cc1c2cc(cc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)NC(=O)CCCCCN[C@H]1CCCN(C1)c1ccc3ncc(n3n1)C#C2,LIN0305,"Amide,Ring structure ",12,13.6,MCD00483,MCD00483,O=C(CCCCCN[C@H]1CCCN([*])C1)N[*] | |
| Cc1c2cc(cc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)NOCCCCC(=O)N[C@H]1CCCN(C1)c1ccc3ncc(n3n1)C#C2,LIN0306,"Amide,Ring structure ",12,11.1,MCD00484,MCD00484,O=C(CCCCON[*])N[C@H]1CCCN([*])C1 | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CC[C@H](NC(=O)Cc3cncn3C2)C1=O,LIN0392,"Amide,Ring structure ",7,8.7,MCD04314,MCD04314,O=C(C[*])N[C@H]1CCN([*])C1=O | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CC[C@@H](NC(=O)Cc3cncn3C2)C1=O,LIN0393,"Amide,Ring structure ",7,9.2,MCD04315,MCD04315,O=C(C[*])N[C@@H]1CCN([*])C1=O | |
| CN1CCc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)N2CC[C@H]1C2=O,LIN0396,"Amide,Ring structure ",7,8.8,MCD04318,MCD04318,CN(CC[*])[C@H]1CCN([*])C1=O | |
| CN1CCc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)N2CC[C@@H]1C2=O,LIN0397,"Amide,Ring structure ",7,8.8,MCD04319,MCD04319,CN(CC[*])[C@@H]1CCN([*])C1=O | |
| CC(C)[C@H]1C(=O)N2CCC[C@H]2c2cn(nn2)[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N2CCC[C@H]2c2cn1nn2,LIN0502,"Amide,Ring structure ",5,6.3,MCD07337,MCD07337,CC(C)[C@H]([*])C(=O)N1CCC[C@H]1[*] | |
| O=C1CN2CCN(CC2)CC(=O)Nc2ccc(cc2)C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@H](C(=O)O)Cc2ccc(cc2)N1,LIN0581,"Amide,Ring structure ",11,10.7,MCD10955,MCD10955,O=C(CN1CCN(CC(=O)N[*])CC1)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC[C@@H]1CCN(C1)C(=O)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0586,"Amide,Ring structure ",9,9.8,MCD11523,MCD11523,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CC(=O)N1CC[C@@H](CN[*])C1 | |
| Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)NCCCCCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3,LIN0257,"Amide,Sulfonamide",10,8.6,MCD00269,MCD00269,O=C([*])NCCCCCNS(=O)(=O)[*] | |
| Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)NCCN(C)CCCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3,LIN0296,"Amide,Sulfonamide",11,8,MCD00460,MCD00460,CN(CCCNC(=O)[*])CCNS(=O)(=O)[*] | |
| CC(C)(C)CC[Si](C)(C)c1ccn(-c2ccc3c(n2)N2C[C@@H](CCCNc4cccc(n4)S(=O)(=O)NC3=O)CC2(C)C)n1,LIN0298,"Amide,Sulfonamide",4,5.4,MCD00470,MCD00470,O=C([*])NS(=O)(=O)[*] | |
| COc1cc(Oc2ccc3cc2/C=C/CCS(=O)(=O)NC(=O)c2ccccc2NC(=O)[C@H]3NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc(-c2ccccc2)n1,LIN0313,"Amide,Sulfonamide",8,9.7,MCD00665,MCD00665,O=C([*])NS(=O)(=O)CC/C=C/[*] | |
| COc1cc(Oc2ccc3cc2/C=C/CCS(=O)(=O)NC(=O)c2ccccc2NC(=O)[C@H]3NC(=O)OC(C)(C)C)nc(-c2ccccc2)n1,LIN0313,"Amide,Sulfonamide",8,9.7,MCD00670,MCD00670,O=C([*])NS(=O)(=O)CC/C=C/[*] | |
| COc1ncc2cc1S(=O)(=O)NCCN(C)C(=O)c1ccc3c(c1)N2CCO3,LIN0504,"Amide,Sulfonamide",7,7.6,MCD08074,MCD08074,CN(CCNS(=O)(=O)[*])C(=O)[*] | |
| COc1ncc2cc1NS(=O)(=O)CCN(C)C(=O)c1ccc3c(c1)N2CCO3,LIN0506,"Amide,Sulfonamide",7,7.6,MCD08076,MCD08076,CN(CCS(=O)(=O)N[*])C(=O)[*] | |
| COc1ncc2cc1S(=O)(=O)NCCCNC(=O)c1ccc3c(c1)N2CCO3,LIN0509,"Amide,Sulfonamide",8,9,MCD08079,MCD08079,O=C([*])NCCCNS(=O)(=O)[*] | |
| COc1ncc2cc1S(=O)(=O)NCCCN(C)C(=O)c1ccc3c(c1)N2CCO3,LIN0510,"Amide,Sulfonamide",8,8.8,MCD08080,MCD08080,CN(CCCNS(=O)(=O)[*])C(=O)[*] | |
| COc1ncc2cc1NS(=O)(=O)CCCNC(=O)c1ccc3c(c1)N2CCO3,LIN0512,"Amide,Sulfonamide",8,8.5,MCD08082,MCD08082,O=C([*])NCCCS(=O)(=O)N[*] | |
| COc1ncc2cc1S(=O)(=O)NCCCCNC(=O)c1ccc3c(c1)N2CCO3,LIN0515,"Amide,Sulfonamide",9,10.2,MCD08085,MCD08085,O=C([*])NCCCCNS(=O)(=O)[*] | |
| COc1ncc2cc1S(=O)(=O)NCCCCN(C)C(=O)c1ccc3c(c1)N2CCO3,LIN0516,"Amide,Sulfonamide",9,9.7,MCD08086,MCD08086,CN(CCCCNS(=O)(=O)[*])C(=O)[*] | |
| COc1ncc2cc1NS(=O)(=O)CCCCN(C)C(=O)c1ccc3c(c1)N2CCO3,LIN0518,"Amide,Sulfonamide",9,9.8,MCD08088,MCD08088,CN(CCCCS(=O)(=O)N[*])C(=O)[*] | |
| CC(C)c1c(F)c(F)cc2c1CC(=O)NS(=O)(=O)c1cnn(c1)C(C)(C)COc1cc-2ccn1,LIN0899,"Amide,Sulfonamide",5,5.9,MCD16534,MCD16534,O=C(C[*])NS(=O)(=O)[*] | |
| CC(C)c1cccc2c1CC(=O)NS(=O)(=O)c1cnn(c1)C1(CC1)COc1cc-2ccn1,LIN0899,"Amide,Sulfonamide",5,5.9,MCD16536,MCD16536,O=C(C[*])NS(=O)(=O)[*] | |
| CC(C)c1cc(F)c(F)c2c1CC(=O)NS(=O)(=O)c1nn(cc1F)C(C)(C)COc1cc-2ccn1,LIN0899,"Amide,Sulfonamide",5,5.9,MCD16537,MCD16537,O=C(C[*])NS(=O)(=O)[*] | |
| CC(C)c1cccc2c1CC(=O)NS(=O)(=O)c1cnn(c1)C(C)(C)COc1cc-2ccn1,LIN0899,"Amide,Sulfonamide",5,5.9,MCD16538,MCD16538,O=C(C[*])NS(=O)(=O)[*] | |
| CC(C)c1cc(F)cc2c1CC(=O)NS(=O)(=O)c1cnn(c1)C(C)(C)COc1cc-2ccn1,LIN0899,"Amide,Sulfonamide",5,5.9,MCD16539,MCD16539,O=C(C[*])NS(=O)(=O)[*] | |
| CC(C)c1cc(F)c(F)c2c1CC(=O)NS(=O)(=O)c1cnn(c1)C(C)(C)COc1cc-2ccn1,LIN0899,"Amide,Sulfonamide",5,5.9,MCD16540,MCD16540,O=C(C[*])NS(=O)(=O)[*] | |
| CC(C)c1cccc2c1CC(=O)NS(=O)(=O)c1nn(cc1F)C(C)(C)COc1cc-2ccn1,LIN0899,"Amide,Sulfonamide",5,5.9,MCD16541,MCD16541,O=C(C[*])NS(=O)(=O)[*] | |
| COc1cn2nc1S(=O)(=O)NC(=O)Cc1c(cccc1C(C)C)-c1ccnc(c1)OCC2(C)C,LIN0899,"Amide,Sulfonamide",5,6.3,MCD16535,MCD16535,O=C(C[*])NS(=O)(=O)[*] | |
| CN1C/C=C\CCNC(=O)Cn2c(-c3ccc(Cl)cc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NS1(=O)=O,LIN0485,"Amide,Sulfonamide,Double bond",13,4.8,MCD06708,MCD06708,CN(C/C=C\CCNC(=O)C[*])S(=O)(=O)NC(=O)[*] | |
| CN1C/C=C\CCNC(=O)Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NS1(=O)=O,LIN0485,"Amide,Sulfonamide,Double bond",13,4.8,MCD06715,MCD06715,CN(C/C=C\CCNC(=O)C[*])S(=O)(=O)NC(=O)[*] | |
| CN1CCCCCNC(=O)Cn2c(-c3ccc(Cl)cc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NS1(=O)=O,LIN0486,"Amide,Sulfonamide,Double bond",13,4.7,MCD06709,MCD06709,CN(CCCCCNC(=O)C[*])S(=O)(=O)NC(=O)[*] | |
| CN1CCCCCNC(=O)Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NS1(=O)=O,LIN0486,"Amide,Sulfonamide,Double bond",13,4.7,MCD06716,MCD06716,CN(CCCCCNC(=O)C[*])S(=O)(=O)NC(=O)[*] | |
| COc1ccc(-c2c(C3CCCCC3)c3ccc4cc3n2CC(=O)NCCCCCN(C)S(=O)(=O)NC4=O)cc1,LIN0486,"Amide,Sulfonamide,Double bond",13,11.8,MCD06713,MCD06713,CN(CCCCCNC(=O)C[*])S(=O)(=O)NC(=O)[*] | |
| COC(=O)Nc1ccc2c(c1)NS(=O)(=O)C/C=C\C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0609,"Amide,Sulfonamide,Double bond",8,7.2,MCD11552,MCD11552,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C\CS(=O)(=O)N[*] | |
| OC1CCCCCCCNc2ncc3c(C4CCOCC4)cn(c3n2)CCCC1,LIN0001,Amine,14,15.3,MCD06458,MCD06458,OC(CCCC[*])CCCCCCCN[*] | |
| OC1CCCCCCCNc2ncc3c(-c4ccncc4)cn(c3n2)CCCC1,LIN0001,Amine,14,15.3,MCD06459,MCD06459,OC(CCCC[*])CCCCCCCN[*] | |
| OC1CCCCCCCNc2ncc3c(-c4ccc(N5CCOCC5)cc4)cn(c3n2)CCCC1,LIN0001,Amine,14,15.3,MCD06462,MCD06462,OC(CCCC[*])CCCCCCCN[*] | |
| O=C(Nc1ccc(-c2cn3c4nc(ncc24)NCCCCCCCC(O)CCCC3)cc1)N1CCOCC1,LIN0001,Amine,14,15.3,MCD06463,MCD06463,OC(CCCC[*])CCCCCCCN[*] | |
| OC1CCCCCCCNc2ncc3c(-c4ccc(CN5CCOCC5)cc4)cn(c3n2)CCCC1,LIN0001,Amine,14,15.3,MCD06466,MCD06466,OC(CCCC[*])CCCCCCCN[*] | |
| COc1cccc(-c2cn3c4nc(ncc24)NCCCCCCCC(O)CCCC3)c1,LIN0001,Amine,14,15.3,MCD06468,MCD06468,OC(CCCC[*])CCCCCCCN[*] | |
| COc1ccc(-c2cn3c4nc(ncc24)NCCCCCCCC(O)CCCC3)cc1,LIN0001,Amine,14,15.3,MCD06469,MCD06469,OC(CCCC[*])CCCCCCCN[*] | |
| OC1CCCCCCCNc2ncc3c(-c4ccc(F)cc4)cn(c3n2)CCCC1,LIN0001,Amine,14,15.3,MCD06470,MCD06470,OC(CCCC[*])CCCCCCCN[*] | |
| OC1CCCCCCCNc2ncc3c(-c4ccccc4)cn(c3n2)CCCC1,LIN0001,Amine,14,15.3,MCD06471,MCD06471,OC(CCCC[*])CCCCCCCN[*] | |
| O=S(=O)(c1ccc(-c2cn3c4nc(ncc24)NCCCCCCCC(O)CCCC3)cc1)N1CCOCC1,LIN0001,Amine,14,12.7,MCD06464,MCD06464,OC(CCCC[*])CCCCCCCN[*] | |
| O=C(c1ccc(-c2cn3c4nc(ncc24)NCCCCCCCC(O)CCCC3)cc1)N1CCOCC1,LIN0001,Amine,14,12.7,MCD06465,MCD06465,OC(CCCC[*])CCCCCCCN[*] | |
| COc1ccccc1-c1cn2c3nc(ncc13)NCCCCCCCC(O)CCCC2,LIN0001,Amine,14,12.7,MCD06467,MCD06467,OC(CCCC[*])CCCCCCCN[*] | |
| O=C(CCCCCOc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2)NO,LIN0001,Amine,14,12.7,MCD06549,MCD06549,OC(CCCC[*])CCCCCCCN[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCC(O)CCC4)cc2)CC1,LIN0002,Amine,13,14.6,MCD06480,MCD06480,OC(CCC[*])CCCCCCCN[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCC(O)CCC4)cc2)CC1,LIN0002,Amine,13,14.6,MCD06481,MCD06481,OC(CCC[*])CCCCCCCN[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCC(O)CCC4)cc2)CC1,LIN0002,Amine,13,14.6,MCD06482,MCD06482,OC(CCC[*])CCCCCCCN[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCC(O)CCC4)cc2)CC1,LIN0002,Amine,13,14.6,MCD06483,MCD06483,OC(CCC[*])CCCCCCCN[*] | |
| CS(=O)(=O)N1CCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21,LIN0021,Amine,6,7.2,MCD06512,MCD06512,CS(=O)(=O)N([*])CCCC(=O)[*] | |
| CS(=O)(=O)N1CCCc2cc(ccc2N2CCOCC2)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21,LIN0022,Amine,5,6.2,MCD06515,MCD06515,CS(=O)(=O)N([*])CCC[*] | |
| CS(=O)(=O)N1CCCc2cccc(c2)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21,LIN0022,Amine,5,6.2,MCD06517,MCD06517,CS(=O)(=O)N([*])CCC[*] | |
| CN1CCN(C)CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CC1,LIN0028,Amine,12,9.4,MCD02976,MCD02976,CN(CC[*])CCN(C)CCN(C)CC[*] | |
| CN1CCN(C)CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCN(C)CC1,LIN0028,Amine,12,9.4,MCD02988,MCD02988,CN(CC[*])CCN(C)CCN(C)CC[*] | |
| Cc1nc2cccc3c2nc1NCCCC[C@@H]1CNC(=O)c2cc-3[nH]c21,LIN0084,Amine,6,8.2,MCD06363,MCD06363,[*]CCCCN[*] | |
| Cc1nc2cccc3c2nc1NCCCC[C@H]1CNC(=O)c2cc-3[nH]c21,LIN0084,Amine,6,8.2,MCD06364,MCD06364,[*]CCCCN[*] | |
| COc1cc2cc(n1)NCCCCc1cccc(c1)CC(C(O)CNCc1cccc(C(C)C)c1)NC2=O,LIN0084,Amine,6,8.2,MCD13039,MCD13039,[*]CCCCN[*] | |
| Clc1cnc2nc1NCCCc1cccc(c1)OCc1cccc(c1)N2,LIN0085,Amine,5,6.2,MCD06130,MCD06130,[*]CCCN[*] | |
| Clc1cnc2nc1NCCc1cccc(c1)OCCc1cccc(c1)N2,LIN0086,Amine,4,4.7,MCD06119,MCD06119,[*]CCN[*] | |
| Clc1cnc2nc1NCCc1cccc(c1)OCc1cccc(c1)N2,LIN0086,Amine,4,4.7,MCD06131,MCD06131,[*]CCN[*] | |
| Cc1nc2cccc3c2nc1NC[C@H](C)CC[C@H]1CNC(=O)c2cc-3[nH]c21,LIN0087,Amine,6,6.2,MCD06354,MCD06354,C[C@H](CC[*])CN[*] | |
| Cc1nc2cccc3c2nc1NC[C@@H](C)CC[C@H]1CNC(=O)c2cc-3[nH]c21,LIN0087,Amine,6,6.2,MCD06355,MCD06355,C[C@H](CC[*])CN[*] | |
| Cc1nc2cccc3c2nc1N[C@@H](C)CCC[C@H]1CNC(=O)c2cc-3[nH]c21,LIN0090,Amine,6,6.2,MCD06356,MCD06356,C[C@@H](CCC[*])N[*] | |
| Cc1nc2cccc3c2nc1N[C@H](C)CCC[C@H]1CNC(=O)c2cc-3[nH]c21,LIN0090,Amine,6,6.2,MCD06357,MCD06357,C[C@@H](CCC[*])N[*] | |
| Cc1nc2cccc3c2nc1N[C@H](C)/C=C\C[C@H]1CNC(=O)c2cc-3[nH]c21,LIN0092,Amine,6,4.3,MCD06359,MCD06359,C[C@H](CCC[*])N[*] | |
| Cc1nc2cccc3c2nc1N[C@@H](C)/C=C/C[C@H]1CNC(=O)c2cc-3[nH]c21,LIN0092,Amine,6,4.3,MCD06361,MCD06361,C[C@H](CCC[*])N[*] | |
| Cc1nc2cccc3c2nc1N[C@H](C)/C=C/C[C@H]1CNC(=O)c2cc-3[nH]c21,LIN0092,Amine,6,4.3,MCD06362,MCD06362,C[C@H](CCC[*])N[*] | |
| c1cc2cc(c1)Cn1cc(nn1)Cn1nc(-c3ccc(N4CCNCC4)nc3)c3cnc(nc31)NCc1cn(nn1)C2,LIN0102,Amine,3,4.4,MCD08158,MCD08158,[*]CN[*] | |
| Oc1c2cccc1C[n+]1ccc(c3ccccc31)NCc1ccc(cc1)CNc1cc[n+](c3ccccc13)C2,LIN0102,Amine,3,3.9,MCD00261,MCD00261,[*]CN[*] | |
| CN1C/C=C/CCn2ccc3ccc(cc32)-c2ccnc(n2)Nc2cccc(c2)C1,LIN0140,Amine,8,6.3,MCD05148,MCD05148,CN(C[*])C/C=C/CC[*] | |
| C[C@H]1Nc2nc(ncc2Cl)Nc2cccc(c2)COc2cccc1c2,LIN0148,Amine,3,3.7,MCD06129,MCD06129,C[C@H]([*])N[*] | |
| c1ccc2c(c1)c1cc[n+]2CCCC[n+]2ccc(c3ccccc32)NCCCN1,LIN0177,Amine,6,7.3,MCD00087,MCD00087,[*]NCCCN[*] | |
| CS(=N)(=N)Cc1cc2cc(c1)OCCCCOc1c(F)cccc1-c1nc(ncc1F)N2,LIN0199,Ether,7,8.1,MCD00135,MCD00135,[*]OCCCCO[*] | |
| CS(=N)(=N)Cc1cc2cc(c1)OCCCCOc1cc(F)ccc1-c1nc(ncc1F)N2,LIN0199,Ether,7,8.1,MCD00136,MCD00136,[*]OCCCCO[*] | |
| CCOC(=O)C1CCCCC(NC(=O)C=Cc2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2N1,LIN0219,Amine,8,9.2,MCD00168,MCD00168,CCOC(=O)C(CCCCC([*])NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)N[*] | |
| CCOC(=O)C1CCCCC(NC(=O)C=Cc2cc(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OC)cc2N1,LIN0219,Amine,8,9.2,MCD01554,MCD01554,CCOC(=O)C(CCCCC([*])NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)N[*] | |
| COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)N1CCCC1)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0220,Amine,8,7.7,MCD00170,MCD00170,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCC[C@@H](N[*])C(=O)N1CCCC1 | |
| COC(=O)Nc1ccc2c(c1)NCCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(C#N)[nH]1,LIN0221,Amine,8,8.8,MCD00174,MCD00174,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCN[*] | |
| O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1CCCCCNc2cc(NC(=O)OC[C@H]3CCCO3)ccc2-c2c[nH]c1n2,LIN0221,Amine,8,8.8,MCD00176,MCD00176,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCN[*] | |
| COC(=O)Nc1ccc2c(c1)NCCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0221,Amine,8,8.8,MCD11551,MCD11551,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCN[*] | |
| COC(=O)Nc1ccc2c(c1)NCCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(C(=O)N(C)C)[nH]1,LIN0221,Amine,8,8.8,MCD11592,MCD11592,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCN[*] | |
| CCOC(=O)[C@H]1CCCC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(c(C#N)[nH]2)-c2ccc(NC(=O)OC)cc2N1,LIN0228,Amine,8,7.7,MCD00184,MCD00184,CCOC(=O)[C@@H](CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| CCOC(=O)[C@H]1CCCC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2N1,LIN0228,Amine,8,7.7,MCD11567,MCD11567,CCOC(=O)[C@@H](CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| CCOC(=O)[C@H]1CCCC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OC)cc2N1,LIN0228,Amine,8,7.7,MCD12547,MCD12547,CCOC(=O)[C@@H](CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| COCCOC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(C#N)[nH]1,LIN0229,Amine,8,6.3,MCD00187,MCD00187,COC(=O)[C@@H](CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0229,Amine,8,6.3,MCD12539,MCD12539,COC(=O)[C@@H](CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1cc-2ccn1,LIN0229,Amine,8,6.3,MCD12546,MCD12546,COC(=O)[C@@H](CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(C(F)(F)F)CCCC[C@H](NC(=O)C1CCC(CN)CC1)c1cc-2ccn1,LIN0232,Amine,8,6.9,MCD00190,MCD00190,NCC1CCC(C(=O)N[C@H]([*])CCCCC(N[*])C(F)(F)F)CC1 | |
| COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)N1CCN(C)CC1)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1cc-2ccn1,LIN0233,Amine,8,6.7,MCD00192,MCD00192,CN1CCN(C(=O)[C@@H](CCCC[C@@H]([*])NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)N[*])CC1 | |
| Cc1c2c(n3c1CCN(C(=O)C(C)N)CC(C)C(C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0288,Amine,8,6.8,MCD00378,MCD00378,CC(N)C(=O)N(CC[*])CC(C)C(C)N[*] | |
| Cc1c2c(n3c1CCCNCC(C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0290,Amine,8,9.4,MCD00381,MCD00381,CC(CNCCC[*])N[*] | |
| CC(C)c1cnn2c3nc(nc12)NCC1(CCCCCCn2c(cccc2=O)CN3)CCNCC1,LIN0339,Amine,10,10.6,MCD00972,MCD00972,[*]CCCCCCC1(CN[*])CCNCC1 | |
| CN(c1cc2cc(c1)C(C(F)(F)F)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O,LIN0378,Amine,6,7.1,MCD04025,MCD04025,FC(F)(F)C([*])N[C@H](CC[*])c1ccccc1 | |
| CC(C)N1CCCCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc1nc(N(C)S(C)(=O)=O)c2,LIN0381,Amine,6,6.3,MCD04031,MCD04031,CC(C)N([*])CCCC[*] | |
| Cc1c2c(n3c1CCNCCCNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0405,Amine,8,6.8,MCD04851,MCD04851,[*]CCNCCCN[*] | |
| Cc1c2c(n3c1CCCNCC(C)(C)CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0406,Amine,9,5.7,MCD04852,MCD04852,CC(C)(CN[*])CNCCC[*] | |
| Cc1c2c(n3c1CCCNC(C)(C)CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0407,Amine,8,7.9,MCD04853,MCD04853,CC(C)(CN[*])NCCC[*] | |
| Cc1c2c(n3c1CCCNCCNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0408,Amine,8,8.5,MCD04854,MCD04854,[*]CCCNCCN[*] | |
| Cc1c2c(n3c1CCCNC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0409,Amine,8,8.8,MCD04855,MCD04855,C[C@@H](CNCCC[*])N[*] | |
| Cc1c2c(n3c1CCCNC[C@H](C)Nc1cc-3ccc1C(=N)O)CC(C)(C)CC2=O,LIN0409,Amine,8,8.8,MCD18477,MCD18477,C[C@@H](CNCCC[*])N[*] | |
| Cc1c2c(n3c1CCNCC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0410,Amine,8,8.7,MCD04856,MCD04856,C[C@@H](CCNCC[*])N[*] | |
| Cc1c2c(n3c1CCCNCC(C)(C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0411,Amine,8,9,MCD04857,MCD04857,CC(C)(CNCCC[*])N[*] | |
| Cc1c2c(n3c1CCNCC(C)CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0412,Amine,8,7.7,MCD04858,MCD04858,CC(CN[*])CNCC[*] | |
| Cc1c2c(n3c1CCNCC(O)CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0413,Amine,8,5.6,MCD04859,MCD04859,OC(CN[*])CNCC[*] | |
| Cc1c2c(n3c1CCC(C)NCCNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0415,Amine,8,9.7,MCD04861,MCD04861,CC(CC[*])NCCN[*] | |
| Cc1c2c(n3c1CC[C@@H](C)N[C@H](C)CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0416,Amine,8,8.9,MCD04862,MCD04862,C[C@H](CC[*])N[C@H](C)CN[*] | |
| Cc1c2c(n3c1CC[C@H](C)N[C@H](C)CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0417,Amine,8,8.6,MCD04863,MCD04863,C[C@H](CN[*])N[C@@H](C)CC[*] | |
| Cc1c2c(n3c1CCCN(C)C[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0418,Amine,8,7.6,MCD04864,MCD04864,C[C@@H](CN(C)CCC[*])N[*] | |
| CC(=O)N1CCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)CC1)CC(C)(C)CC3=O,LIN0419,Amine,8,5.7,MCD04865,MCD04865,CC(=O)N(CC[*])CC[C@H](C)N[*] | |
| Cc1c2c(n3c1CCCN[C@H](C)CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0420,Amine,8,9.1,MCD04876,MCD04876,C[C@H](CN[*])NCCC[*] | |
| Cc1c2c(n3c1CCCN[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0436,Amine,8,8.6,MCD04914,MCD04914,C[C@H](N[*])[C@H](C)NCCC[*] | |
| Cc1c2c(n3c1CCNC[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0437,Amine,8,9.3,MCD04915,MCD04915,C[C@H](CNCC[*])[C@H](C)N[*] | |
| Cc1c2c(n3c1CCCN(C)[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0438,Amine,8,9.1,MCD04916,MCD04916,C[C@H](N[*])[C@H](C)N(C)CCC[*] | |
| Cc1c2c(n3c1CCN(C)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0439,Amine,8,7,MCD04917,MCD04917,C[C@H](CN(C)CC[*])[C@H](C)N[*] | |
| Cc1c2c(n3c1CCCN(CCO)[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0440,Amine,8,8.7,MCD04918,MCD04918,C[C@H](N[*])[C@H](C)N(CCO)CCC[*] | |
| Cc1c2c(n3c1CCN(CCO)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0441,Amine,8,6.4,MCD04919,MCD04919,C[C@H](CN(CCO)CC[*])[C@H](C)N[*] | |
| CC(=O)N1CCCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)[C@@H]1C)CC(C)(C)CC3=O,LIN0442,Amine,8,8.1,MCD04920,MCD04920,CC(=O)N(CCC[*])[C@@H](C)[C@H](C)N[*] | |
| CC(=O)N1CCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)[C@H](C)C1)CC(C)(C)CC3=O,LIN0443,Amine,8,8.6,MCD04921,MCD04921,CC(=O)N(CC[*])C[C@@H](C)[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)CN)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0445,Amine,8,8.5,MCD04923,MCD04923,C[C@H](CN(CC[*])C(=O)CN)[C@H](C)N[*] | |
| COCCC(=O)N1CCCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)[C@@H]1C)CC(C)(C)CC3=O,LIN0448,Amine,8,6.1,MCD04926,MCD04926,COCCC(=O)N(CCC[*])[C@@H](C)[C@H](C)N[*] | |
| COCCC(=O)N1CCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)[C@H](C)C1)CC(C)(C)CC3=O,LIN0449,Amine,8,9.1,MCD04927,MCD04927,COCCC(=O)N(CC[*])C[C@@H](C)[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)[C@H](C)N)CC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0450,Amine,8,9.6,MCD04928,MCD04928,C[C@H](N)C(=O)N(CC[*])CC[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)[C@H](C)N)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0451,Amine,8,8.3,MCD04929,MCD04929,C[C@H](N)C(=O)N(CC[*])C[C@@H](C)[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)[C@H](C)N)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(=N)O)CC(C)(C)CC2=O,LIN0451,Amine,8,8.3,MCD18558,MCD18558,C[C@H](N)C(=O)N(CC[*])C[C@@H](C)[C@H](C)N[*] | |
| CC[C@H](N)C(=O)N1CCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)[C@H](C)C1)CC(C)(C)CC3=O,LIN0452,Amine,8,7.4,MCD04930,MCD04930,CC[C@H](N)C(=O)N(CC[*])C[C@@H](C)[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)C(C)(C)N)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0454,Amine,8,8.9,MCD04932,MCD04932,C[C@H](CN(CC[*])C(=O)C(C)(C)N)[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)C1(N)CC1)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0455,Amine,8,8.8,MCD04933,MCD04933,C[C@H](CN(CC[*])C(=O)C1(N)CC1)[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)C1(N)CCCC1)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0456,Amine,8,6.1,MCD04934,MCD04934,C[C@H](CN(CC[*])C(=O)C1(N)CCCC1)[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)[C@@H]1CCCN1)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0457,Amine,8,7.3,MCD04935,MCD04935,C[C@H](CN(CC[*])C(=O)[C@@H]1CCCN1)[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)[C@H]1CCCN1)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0458,Amine,8,9,MCD04936,MCD04936,C[C@H](CN(CC[*])C(=O)[C@H]1CCCN1)[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)[C@@H]1C[C@H](F)CN1)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0459,Amine,8,7.2,MCD04937,MCD04937,C[C@H](CN(CC[*])C(=O)[C@@H]1C[C@H](F)CN1)[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)[C@H](C)O)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0460,Amine,8,5.4,MCD04938,MCD04938,C[C@H](O)C(=O)N(CC[*])C[C@@H](C)[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)[C@@H](O)C(C)C)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0461,Amine,8,8.6,MCD04939,MCD04939,CC(C)[C@H](O)C(=O)N(CC[*])C[C@@H](C)[C@H](C)N[*] | |
| c1ccc2c(c1)c1cc[n+]2Cc2ccc(cc2)C[n+]2ccc(c3ccccc32)NCCCCCN1,LIN0463,Amine,8,6.8,MCD05399,MCD05399,[*]NCCCCCN[*] | |
| FC1(F)CNc2cc[n+](c3ccccc23)CCCCC[n+]2ccc(c3ccccc32)NCC(F)(F)C1(F)F,LIN0467,Amine,8,9.7,MCD05407,MCD05407,FC(F)(CN[*])C(F)(F)C(F)(F)CN[*] | |
| c1ccc(CN2CCCCCN(Cc3ccccc3)c3cc[n+](c4ccccc34)CCCCC[n+]3ccc2c2ccccc23)cc1,LIN0468,Amine,8,7.4,MCD05410,MCD05410,[*]N(CCCCCN([*])Cc1ccccc1)Cc1ccccc1 | |
| CN1CCCCCN(C)c2cc[n+](c3ccccc23)CCCCC[n+]2ccc1c1ccccc12,LIN0469,Amine,8,9.2,MCD05411,MCD05411,CN([*])CCCCCN(C)[*] | |
| CC1CCNc2cc[n+](c3ccccc23)CCC(C)CC[n+]2ccc(c3ccccc32)NCC1,LIN0475,Amine,8,9.2,MCD05424,MCD05424,CC(CCN[*])CCN[*] | |
| CC1CCNc2cc[n+](c3ccccc23)CCCCC[n+]2ccc(c3ccccc32)NCC1,LIN0475,Amine,8,9.2,MCD05426,MCD05426,CC(CCN[*])CCN[*] | |
| c1cc2ccc3cc2cc1CNCCNCCNCc1ccc2ccc(cc2c1)CNCCNCCNC3,LIN0496,Amine,10,9.9,MCD07082,MCD07082,[*]CNCCNCCNC[*] | |
| FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCCCC2,LIN0523,Amine,9,9.3,MCD08204,MCD08204,[*]CCCCCCCN[*] | |
| FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCCCCC2,LIN0528,Amine,10,9.1,MCD08210,MCD08210,[*]CCCCCCCCN[*] | |
| FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCC2,LIN0529,Amine,7,8.7,MCD08211,MCD08211,[*]CCCCCN[*] | |
| FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCCC2,LIN0537,Amine,8,7.7,MCD08220,MCD08220,[*]CCCCCCN[*] | |
| FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCC/C=C/C2,LIN0538,Amine,9,8,MCD08221,MCD08221,[*]C/C=C/CCCCN[*] | |
| Nc1cc(C2CCNCc3cccc(c3)Oc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1,LIN0544,Amine,6,5.1,MCD08295,MCD08295,Nc1cc(C([*])CCNC[*])c2nn[nH]c2n1 | |
| COc1ccc2c(c1)CCCN(C)CCCc1ccccc1C2,LIN0575,Amine,8,7.9,MCD10307,MCD10307,CN(CCC[*])CCC[*] | |
| CN1CCCc2ccccc2Cc2ccc(O)cc2CCC1,LIN0575,Amine,8,7.9,MCD10308,MCD10308,CN(CCC[*])CCC[*] | |
| COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](N1CCC(c3cccc(Cl)c3)OC1=O)c1nc-2c[nH]1,LIN0593,Amine,8,9.2,MCD11533,MCD11533,COC(=O)[C@@H](CCCC[C@@H]([*])N1CCC(c2cccc(Cl)c2)OC1=O)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(C(F)(F)F)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0620,Amine,8,7.6,MCD11566,MCD11566,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCC(N[*])C(F)(F)F | |
| COC(=O)Nc1ccc2c(c1)NC(C(F)(F)F)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(C)[nH]1,LIN0620,Amine,8,7.6,MCD11568,MCD11568,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCC(N[*])C(F)(F)F | |
| COC(=O)Nc1ccc2c(c1)NC(C(F)F)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0621,Amine,8,8.6,MCD11569,MCD11569,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCC(N[*])C(F)F | |
| COC(=O)Nc1ccc2c(c1)N[C@H](C(=O)O)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0622,Amine,8,7.4,MCD11570,MCD11570,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCC[C@H](N[*])C(=O)O | |
| COC(=O)Nc1ccc2c(c1)N[C@H](c1nn(N)cc1Cl)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0623,Amine,8,6.8,MCD11571,MCD11571,Nn1cc(Cl)c([C@H](CCCC[C@@H]([*])NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)N[*])n1 | |
| COC(=O)Nc1ccc2c(c1)NC(C1(C)COC1)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0624,Amine,8,7.4,MCD11572,MCD11572,CC1(C(CCCC[C@@H]([*])NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)N[*])COC1 | |
| COC(=O)Nc1ccc2c(c1)N(C(=O)OC)CCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0627,Amine,8,6.5,MCD11576,MCD11576,COC(=O)N([*])CCCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1 | |
| COC(=O)Nc1ccc2c(c1)NC(C(N)=O)C(C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0628,Amine,8,7.6,MCD11577,MCD11577,CC(CCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C(N[*])C(N)=O | |
| CCC(=O)CN1CCCC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2C1,LIN0629,Amine,8,6.7,MCD11578,MCD11578,CCC(=O)CN(C[*])CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1 | |
| CCOC(=O)[C@@H]1CCCC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(c(C)[nH]2)-c2ccc(NC(=O)OC)cc2N1,LIN0635,Amine,8,9.4,MCD11585,MCD11585,CCOC(=O)[C@H](CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| COC(=O)Nc1ccc2c(c1)NCCCCC[C@H](NC(=O)/C=C/c1c(C(C)=O)ccc(Cl)c1F)c1nc-2c(C#N)[nH]1,LIN0638,Amine,8,9,MCD11588,MCD11588,CC(=O)c1ccc(Cl)c(F)c1/C=C/C(=O)N[C@H]([*])CCCCCN[*] | |
| COC(=O)Nc1ccc2c(c1)NCCCCC[C@H](NC(=O)/C=C/c1cc(C)ccc1-n1cnnn1)c1nc-2c(C#N)[nH]1,LIN0639,Amine,8,6.8,MCD11589,MCD11589,Cc1ccc(-n2cnnn2)c(/C=C/C(=O)N[C@H]([*])CCCCCN[*])c1 | |
| COC(=O)Nc1ccc2c(c1)NC(C(F)(F)F)CCCC[C@H](NC(=O)c1ccc(C(=N)N)cc1)c1cc-2ccn1,LIN0644,Amine,8,4.3,MCD11596,MCD11596,N=C(N)c1ccc(C(=O)N[C@H]([*])CCCCC(N[*])C(F)(F)F)cc1 | |
| CCOC(=O)C1CCCC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OC)cc2N1,LIN0645,Amine,8,8.5,MCD11597,MCD11597,CCOC(=O)C(CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| CCOC(=O)[C@@H]1CCCC[C@H](NC(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(NC(=O)OCCOC)cc2N1,LIN0646,Amine,8,8.6,MCD11598,MCD11598,CCOC(=O)[C@H](CCCC[C@@H]([*])NC(=O)/C=C/c1c(-n2cnnn2)ccc(Cl)c1F)N[*] | |
| N#CC1(NC(=O)[C@@H]2Cc3ccc(c(Cl)c3)OC/C=C/COc3ccccc3C(C(F)(F)F)N2)CC1,LIN0748,Amine,5,5.2,MCD12139,MCD12139,N#CC1(NC(=O)[C@H](C[*])NC([*])C(F)(F)F)CC1 | |
| N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NC(=O)CCCc3ccccc3)C(=O)N2)cc1,LIN0789,Amine,7,6.7,MCD12408,MCD12408,N=C(N)c1ccc(CNC(=O)[C@H](C[*])NC(=O)[C@@H](C[*])NC(=O)CCCc2ccccc2)cc1 | |
| COC(=O)Nc1ccc2c(c1)N[C@H](C(F)(F)F)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0798,Amine,8,5.4,MCD12534,MCD12534,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCC[C@H](N[*])C(F)(F)F | |
| COC(=O)Nc1ccc2c(c1)N[C@@H](C)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0801,Amine,8,8.7,MCD12537,MCD12537,C[C@@H](CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)O)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0803,Amine,8,8,MCD12540,MCD12540,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCC[C@@H](N[*])C(=O)O | |
| COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)O)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1cc-2ccn1,LIN0803,Amine,8,8,MCD12548,MCD12548,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCC[C@@H](N[*])C(=O)O | |
| COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)N(C)C)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0804,Amine,8,8,MCD12541,MCD12541,CN(C)C(=O)[C@@H](CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| COC(=O)Nc1ccc2c(c1)N[C@@H](CO)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0805,Amine,8,6.5,MCD12542,MCD12542,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCC[C@H](CO)N[*] | |
| COC(=O)C[C@H]1CCCC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2N1,LIN0806,Amine,8,8.7,MCD12543,MCD12543,COC(=O)C[C@@H](CCCC[C@@H]([*])NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| COC(=O)Nc1ccc2c(c1)NC(C(F)(F)F)CCCCC(NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1,LIN0825,Amine,8,7.6,MCD13042,MCD13042,O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)NC([*])CCCCC(N[*])C(F)(F)F | |
| COC(=O)Nc1ccc2c(c1)NC(C(=O)OC)CCCCC(NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1,LIN0826,Amine,8,9,MCD13043,MCD13043,COC(=O)C(CCCCC([*])NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)N[*] | |
| COc1ccccc1-c1nccc(COc2ccc3cc2CC(C(=O)O)Oc2ncnc4sc(-c5ccc(F)cc5)c(c24)-c2ccc(c(Cl)c2C)CN(CCN2CCN(C)CC2)C3)n1,LIN0835,Amine,4,4.6,MCD13263,MCD13263,CN1CCN(CCN(C[*])C[*])CC1 | |
| CC(=O)NCC(=O)N1CCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)CC1)CC(C)(C)CC3=O,LIN0851,Amine,8,8.6,MCD13454,MCD13454,CC(=O)NCC(=O)N(CC[*])CC[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)[C@@H](C)N)CC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0852,Amine,8,8.4,MCD13455,MCD13455,C[C@@H](CCN(CC[*])C(=O)[C@@H](C)N)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)CN)CC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0854,Amine,8,7.6,MCD13457,MCD13457,C[C@@H](CCN(CC[*])C(=O)CN)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)CN(C)C)CC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0855,Amine,8,8.4,MCD13458,MCD13458,C[C@@H](CCN(CC[*])C(=O)CN(C)C)N[*] | |
| CC(=O)N1CCCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)C1)CC(C)(C)CC3=O,LIN0856,Amine,8,8.3,MCD13459,MCD13459,CC(=O)N(CCC[*])C[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)CCN)CC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0864,Amine,8,8.5,MCD13467,MCD13467,C[C@@H](CCN(CC[*])C(=O)CCN)N[*] | |
| CC(=O)N1CCCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)NC[C@H]1C)CC(C)(C)CC3=O,LIN0865,Amine,8,8.6,MCD13468,MCD13468,CC(=O)N(CCC[*])[C@H](C)CN[*] | |
| CN1CCCCN(C)c2nccc3[nH]c(nc23)-c2c[nH]c3ccc(cc23)-c2cncc(c2)C1,LIN0873,Amine,8,7.2,MCD14550,MCD14550,CN([*])CCCCN(C)C[*] | |
| c1cc2cc(c1)-c1cncc3[nH]c(nc13)-c1n[nH]c3ccc(cc13)-c1cncc(c1)CNC2,LIN0875,Amine,4,4.9,MCD14553,MCD14553,[*]CNC[*] | |
| CN1CCCn2cc(nn2)-c2nccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)C1,LIN0876,Amine,6,5.9,MCD14554,MCD14554,CN(C[*])CCC[*] | |
| CC(C)c1cnn2c3nc(nc12)NCC1(CCCCc2ccccc2CN3)CCNCC1,LIN0903,Amine,8,8.9,MCD17896,MCD17896,[*]CCCCC1(CN[*])CCNCC1 | |
| CC(C)c1cnn2c3nc(nc12)NCC1(CCCCc2cc(S(C)(=O)=O)ccc2CN3)CCNCC1,LIN0903,Amine,8,8.9,MCD17911,MCD17911,[*]CCCCC1(CN[*])CCNCC1 | |
| Cc1ccc2c(c1)CCCCC1(CCNCC1)CNc1nc(n3ncc(C(C)C)c3n1)NC2,LIN0903,Amine,8,8.6,MCD17906,MCD17906,[*]CCCCC1(CN[*])CCNCC1 | |
| Cc1ccc2c(c1)CNc1nc(nc3c(C(C)C)cnn13)NCC1(CCCC2)CCNCC1,LIN0903,Amine,8,8.6,MCD17907,MCD17907,[*]CCCCC1(CN[*])CCNCC1 | |
| COc1ccc2c(c1)CNc1nc(nc3c(C(C)C)cnn13)NCC1(CCCC2)CCNCC1,LIN0903,Amine,8,8.6,MCD17908,MCD17908,[*]CCCCC1(CN[*])CCNCC1 | |
| CC(C)c1cnn2c3nc(nc12)NCC1(CCCCc2ccccc2CN3)CNC1,LIN0905,Amine,8,10,MCD17898,MCD17898,[*]CCCCC1(CN[*])CNC1 | |
| CC(C)c1cnn2c3nc(nc12)NCC1(CCCCc2ccccc2CN3)CCOCC1,LIN0907,Amine,8,8.5,MCD17900,MCD17900,[*]CCCCC1(CN[*])CCOCC1 | |
| CC(C)c1cnn2c3nc(nc12)NCC1(CCCCc2ccccc2CN3)CCN(C)CC1,LIN0908,Amine,8,8.3,MCD17901,MCD17901,CN1CCC(CCCC[*])(CN[*])CC1 | |
| O=c1ccc2nn1CCc1ccc3ncc(cc3c1)-c1cnn(c1)CCCCN=C(O)c1ccc-2cc1C(F)(F)F,LIN0944,Amine,7,7.7,MCD18624,MCD18624,OC([*])=NCCCC[*] | |
| COC(=O)[C@H]1CCCC[C@H](N=C(O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2ncc([nH]2)-c2ccc(N=C(O)OC)cc2N1,LIN0957,Amine,8,9.1,MCD18672,MCD18672,COC(=O)[C@@H](CCCC[C@@H]([*])N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| COC(O)=Nc1ccc2c(c1)N[C@@H](C(F)(F)F)CCCC[C@H](N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1,LIN0958,Amine,8,6.8,MCD18673,MCD18673,OC(/C=C/c1cc(Cl)ccc1-n1cnnn1)=N[C@H]([*])CCCC[C@@H](N[*])C(F)(F)F | |
| CCOC(=O)[C@H]1CCCC[C@H](N=C(O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2ncc([nH]2)-c2ccc(N=C(O)OC)cc2N1,LIN0961,Amine,8,8.8,MCD18702,MCD18702,CCOC(=O)[C@@H](CCCC[C@@H]([*])N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| CCOC(=O)[C@H]1CCCC[C@H](N=C(O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(N=C(O)OC)cc2N1,LIN0961,Amine,8,8.8,MCD18728,MCD18728,CCOC(=O)[C@@H](CCCC[C@@H]([*])N=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1)N[*] | |
| N[C@H]1CCCCNc2nc(ncc2C(=O)NCc2ccc(F)cc2)NCCCCCCNC1=O,LIN0018,"Amine,Amide",16,14.6,MCD07213,MCD07213,N[C@@H](CCCCN[*])C(=O)NCCCCCCN[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCNC(=O)[C@@H](N)CCCC4)cc2)CC1,LIN0128,"Amine,Amide",13,11.9,MCD06486,MCD06486,N[C@@H](CCCC[*])C(=O)NCCCCN[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCNC(=O)[C@@H](N)CCCC4)cc2)CC1,LIN0129,"Amine,Amide",15,13.7,MCD06484,MCD06484,N[C@@H](CCCC[*])C(=O)NCCCCCCN[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCNC(=O)[C@@H](N)CCCC4)cc2)CC1,LIN0129,"Amine,Amide",15,13.7,MCD06485,MCD06485,N[C@@H](CCCC[*])C(=O)NCCCCCCN[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCNC(=O)CCC4)cc2)CC1,LIN0135,"Amine,Amide",11,11.9,MCD06490,MCD06490,O=C(CCC[*])NCCCCN[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCNC(=O)[C@@H](N)CCC4)cc2)CC1,LIN0136,"Amine,Amide",12,12.4,MCD06489,MCD06489,N[C@@H](CCC[*])C(=O)NCCCCN[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCNC(=O)[C@@H](N)CCC4)cc2)CC1,LIN0137,"Amine,Amide",14,15.5,MCD06487,MCD06487,N[C@@H](CCC[*])C(=O)NCCCCCCN[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCNC(=O)[C@@H](N)CCC4)cc2)CC1,LIN0137,"Amine,Amide",14,15.5,MCD06488,MCD06488,N[C@@H](CCC[*])C(=O)NCCCCCCN[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)NC(=O)CNCc1cncn1C2,LIN0192,"Amine,Amide",6,6.6,MCD00121,MCD00121,O=C(CNC[*])N[*] | |
| N#Cc1ccc2cc1Oc1ccc(Cl)c(c1)CN1CCN(CC1=O)Cc1cncn1C2,LIN0192,"Amine,Amide",6,6.6,MCD00122,MCD00122,O=C(CNC[*])N[*] | |
| N#Cc1ccc2cc1Oc1ccc(F)c(c1)CN1CCN(CC1=O)Cc1cncn1C2,LIN0192,"Amine,Amide",6,6.6,MCD00123,MCD00123,O=C(CNC[*])N[*] | |
| N#Cc1ccc2cc1Oc1ccc(Br)c(c1)CN1CCN(CC1=O)Cc1cncn1C2,LIN0192,"Amine,Amide",6,6.6,MCD00124,MCD00124,O=C(CNC[*])N[*] | |
| CCc1ccc2cc1CN1CCN(CC1=O)Cc1cncn1Cc1ccc(C#N)c(c1)O2,LIN0192,"Amine,Amide",6,6.6,MCD00125,MCD00125,O=C(CNC[*])N[*] | |
| C#Cc1ccc2cc1CN1CCN(CC1=O)Cc1cncn1Cc1ccc(C#N)c(c1)O2,LIN0192,"Amine,Amide",6,6.6,MCD00126,MCD00126,O=C(CNC[*])N[*] | |
| CN1C(=O)CNCc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc1c3c2,LIN0193,"Amine,Amide",6,6.2,MCD00127,MCD00127,CN([*])C(=O)CNC[*] | |
| CN1CC(=O)Nc2cccc3ccc(cc23)Oc2cc(ccc2C#N)Cn2cncc2C1,LIN0194,"Amine,Amide",6,7.2,MCD00128,MCD00128,CN(C[*])CC(=O)N[*] | |
| C[C@H]1NCc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)NC1=O,LIN0195,"Amine,Amide",6,7.8,MCD00129,MCD00129,C[C@@H](NC[*])C(=O)N[*] | |
| C[C@@H]1NCc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)NC1=O,LIN0196,"Amine,Amide",6,5.5,MCD00130,MCD00130,C[C@H](NC[*])C(=O)N[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)C(=O)NCCNCc1cncn1C2,LIN0197,"Amine,Amide",7,7.7,MCD00131,MCD00131,O=C([*])NCCNC[*] | |
| CN1CC(=O)N(C)c2cccc3ccc(cc23)Oc2cc(ccc2C#N)Cn2cncc2C1,LIN0206,"Amine,Amide",6,6.8,MCD00154,MCD00154,CN(C[*])CC(=O)N(C)[*] | |
| C[C@H]1NCc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)N(C)C1=O,LIN0207,"Amine,Amide",6,7.3,MCD00155,MCD00155,C[C@@H](NC[*])C(=O)N(C)[*] | |
| CC[C@H]1NCc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)NC1=O,LIN0208,"Amine,Amide",6,7.4,MCD00156,MCD00156,CC[C@@H](NC[*])C(=O)N[*] | |
| C[C@@H]1C(=O)Nc2cccc3ccc(cc23)Oc2cc(ccc2C#N)Cn2cncc2CN1C,LIN0212,"Amine,Amide",6,5.1,MCD00160,MCD00160,C[C@H](C(=O)N[*])N(C)C[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)C(=O)NCCCNCc1cncn1C2,LIN0215,"Amine,Amide",8,8.5,MCD00163,MCD00163,O=C([*])NCCCNC[*] | |
| C[C@@H]1C(=O)N(C)c2cccc3ccc(cc23)Oc2cc(ccc2C#N)Cn2cncc2CN1C,LIN0222,"Amine,Amide",6,6.2,MCD00175,MCD00175,C[C@H](C(=O)N(C)[*])N(C)C[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)NC(=O)[C@@H](Cc1cccs1)NCc1cncn1C2,LIN0239,"Amine,Amide",6,5.6,MCD00219,MCD00219,O=C(N[*])[C@@H](Cc1cccs1)NC[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)NC(=O)[C@@H](Cc1ccccc1)NCc1cncn1C2,LIN0249,"Amine,Amide",6,7.4,MCD00248,MCD00248,O=C(N[*])[C@@H](Cc1ccccc1)NC[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)NC(=O)CN(Cc1ccccc1)Cc1cncn1C2,LIN0250,"Amine,Amide",6,4.7,MCD00249,MCD00249,O=C(CN(C[*])Cc1ccccc1)N[*] | |
| CN1Cc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)NC(=O)[C@H]1Cc1ccccc1,LIN0254,"Amine,Amide",6,5.9,MCD00259,MCD00259,CN(C[*])[C@H](Cc1ccccc1)C(=O)N[*] | |
| C[C@@H]1C(=O)Nc2cccc3ccc(cc23)Oc2cc(ccc2C#N)Cn2cncc2CN1Cc1ccccc1,LIN0255,"Amine,Amide",6,4.7,MCD00260,MCD00260,C[C@H](C(=O)N[*])N(C[*])Cc1ccccc1 | |
| NC1CCCCNc2nc(ncc2C(=O)NCc2ccc(F)cc2)NCCCCCCNC1=O,LIN0285,"Amine,Amide",16,12.9,MCD00355,MCD00355,NC(CCCCN[*])C(=O)NCCCCCCN[*] | |
| O=C1NCCCCCNc2ncc(Cl)c(n2)Nc2cc1[nH]n2,LIN0331,"Amine,Amide",9,11.4,MCD00932,MCD00932,O=C([*])NCCCCCN[*] | |
| O=C1NCCCCCNc2ccn3ncc(c3n2)-c2cccc1c2,LIN0331,"Amine,Amide",9,11.4,MCD13113,MCD13113,O=C([*])NCCCCCN[*] | |
| O=C1NCCCCCNc2nc(c3ccccc3n2)Nc2cc1[nH]n2,LIN0331,"Amine,Amide",9,11.4,MCD13289,MCD13289,O=C([*])NCCCCCN[*] | |
| O=C1NCCCCCCNc2ncc(Cl)c(n2)Nc2cc1[nH]n2,LIN0343,"Amine,Amide",10,8.4,MCD01021,MCD01021,O=C([*])NCCCCCCN[*] | |
| O=C1NCCCCCCNc2nc(c3ccccc3n2)Nc2cc1[nH]n2,LIN0343,"Amine,Amide",10,8.4,MCD01024,MCD01024,O=C([*])NCCCCCCN[*] | |
| Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)C(=O)NCC(=O)NCCCCO4)cc(C(F)(F)F)c2)cn1,LIN0354,"Amine,Amide",11,11.7,MCD01131,MCD01131,O=C([*])NCC(=O)NCCCCO[*] | |
| Cc1c2c(n3c1CCCNC(=O)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0421,"Amine,Amide",8,9.3,MCD04877,MCD04877,C[C@H](N[*])C(=O)NCCC[*] | |
| Cc1c2c(n3c1CCCN(C(=O)CN)[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0444,"Amine,Amide",8,9,MCD04922,MCD04922,C[C@H](N[*])[C@H](C)N(CCC[*])C(=O)CN | |
| Cc1c2c(n3c1CCCN(C(=O)CO)[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0446,"Amine,Amide",8,7.1,MCD04924,MCD04924,C[C@H](N[*])[C@H](C)N(CCC[*])C(=O)CO | |
| Cc1c2c(n3c1CCN(C(=O)CO)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0447,"Amine,Amide",8,8,MCD04925,MCD04925,C[C@H](CN(CC[*])C(=O)CO)[C@H](C)N[*] | |
| Cc1c2c(n3c1CCN(C(=O)[C@@H](N)C(C)C)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0453,"Amine,Amide",8,9.8,MCD04931,MCD04931,CC(C)[C@H](N)C(=O)N(CC[*])C[C@@H](C)[C@H](C)N[*] | |
| O=C1NCCCCNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc1cc(C(F)(F)F)c2,LIN0542,"Amine,Amide",8,8.7,MCD08230,MCD08230,O=C([*])NCCCCN[*] | |
| Nc1cc(C2CCNCC(=O)N(CCc3ccccc3)Cc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1,LIN0546,"Amine,Amide",9,9.5,MCD08300,MCD08300,Nc1cc(C([*])CCNCC(=O)N(C[*])CCc2ccccc2)c2nn[nH]c2n1 | |
| COC(=O)Nc1ccc2c(c1)NCC(F)(F)C(=O)NC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0610,"Amine,Amide",8,8.6,MCD11553,MCD11553,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CNC(=O)C(F)(F)CN[*] | |
| Cc1c2c(n3c1CCCN(C)C(=O)C(C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0818,"Amine,Amide",8,8.3,MCD12926,MCD12926,CC(N[*])C(=O)N(C)CCC[*] | |
| CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCC(=O)NCCC4)cc2)CC1,LIN0822,"Amine,Amide",11,13,MCD13007,MCD13007,O=C(CCCCN[*])NCCC[*] | |
| CN1CCNC(=O)c2cccc(c2)-c2cnn3ccc(nc23)NCC1,LIN0830,"Amine,Amide",9,10.6,MCD13115,MCD13115,CN(CCN[*])CCNC(=O)[*] | |
| Cc1c2c(n3c1CC(=O)NCC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0853,"Amine,Amide",8,9.8,MCD13456,MCD13456,C[C@@H](CCNC(=O)C[*])N[*] | |
| Cc1c2c(n3c1CC(=O)N(CCN(C)C)CC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0857,"Amine,Amide",8,9.1,MCD13460,MCD13460,C[C@@H](CCN(CCN(C)C)C(=O)C[*])N[*] | |
| Cc1c2c(n3c1CCCNC(=O)C[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0858,"Amine,Amide",9,11.1,MCD13461,MCD13461,C[C@@H](CC(=O)NCCC[*])N[*] | |
| Cc1c2c(n3c1CCCN(C)C(=O)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0859,"Amine,Amide",8,8.9,MCD13462,MCD13462,C[C@H](N[*])C(=O)N(C)CCC[*] | |
| Cc1c2c(n3c1CCCN(C)C(=O)[C@H](C)Nc1cc-3ccc1C(=N)O)CC(C)(C)CC2=O,LIN0859,"Amine,Amide",8,8.9,MCD18495,MCD18495,C[C@H](N[*])C(=O)N(C)CCC[*] | |
| COCCN1CC[C@H](C)Nc2cc(ccc2C(N)=O)-n2c(c(C)c3c2CC(C)(C)CC3=O)CC1=O,LIN0860,"Amine,Amide",8,6.4,MCD13463,MCD13463,COCCN(CC[C@H](C)N[*])C(=O)C[*] | |
| Cc1c2c(n3c1CCCNC(=O)[C@@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0861,"Amine,Amide",8,7.2,MCD13464,MCD13464,C[C@@H](N[*])C(=O)NCCC[*] | |
| CC(=O)NCCN1CCCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)C1=O)CC(C)(C)CC3=O,LIN0862,"Amine,Amide",8,9.1,MCD13465,MCD13465,CC(=O)NCCN(CCC[*])C(=O)[C@H](C)N[*] | |
| Cc1c2c(n3c1CC(=O)N(C)CC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0863,"Amine,Amide",8,6.6,MCD13466,MCD13466,C[C@@H](CCN(C)C(=O)C[*])N[*] | |
| Cc1c2c(n3c1CC(=O)N(C(C)C)CC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0866,"Amine,Amide",8,6.6,MCD13469,MCD13469,CC(C)N(CC[C@H](C)N[*])C(=O)C[*] | |
| CN1C/C=C/CC(=O)Nc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1,LIN0093,"Amine,Amide,Double bond",8,9.1,MCD05031,MCD05031,CN([*])C/C=C/CC(=O)N[*] | |
| COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCN(C1)c1ncnc3c(C)c-2sc13,LIN0144,"Amine,Amide,Ring structure ",7,8.1,MCD08537,MCD08537,O=C([*])NC[C@H]1CCN([*])C1 | |
| COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@H]1CCN(C1)c1ncnc3c(C)c-2sc13,LIN0144,"Amine,Amide,Ring structure ",7,8.1,MCD08538,MCD08538,O=C([*])NC[C@H]1CCN([*])C1 | |
| N#Cc1ccc2cc1Oc1cccc(c1)CN1CCN(CC1=O)Cc1cncn1C2,LIN0184,"Amine,Amide,Ring structure ",7,6.5,MCD00102,MCD00102,O=C1CN(C[*])CCN1C[*] | |
| Cc1ccc2cc1CN1CCN(CC1=O)Cc1cncn1Cc1ccc(C#N)c(c1)O2,LIN0184,"Amine,Amide,Ring structure ",7,6.5,MCD00120,MCD00120,O=C1CN(C[*])CCN1C[*] | |
| C=CCc1ccc2cc1CN1CCN(CC1=O)Cc1cncn1Cc1ccc(C#N)c(c1)O2,LIN0184,"Amine,Amide,Ring structure ",7,6.5,MCD00152,MCD00152,O=C1CN(C[*])CCN1C[*] | |
| CCCc1ccc2cc1CN1CCN(CC1=O)Cc1cncn1Cc1ccc(C#N)c(c1)O2,LIN0184,"Amine,Amide,Ring structure ",7,6.5,MCD00153,MCD00153,O=C1CN(C[*])CCN1C[*] | |
| COC(=O)c1ccc2cc1CN1CCN(CC1=O)Cc1cncn1Cc1ccc(C#N)c(c1)O2,LIN0184,"Amine,Amide,Ring structure ",7,6.5,MCD00173,MCD00173,O=C1CN(C[*])CCN1C[*] | |
| N#Cc1ccc2cc1Oc1ccc(CC3CC3)c(c1)CN1CCN(CC1=O)Cc1cncn1C2,LIN0184,"Amine,Amide,Ring structure ",7,6.5,MCD00186,MCD00186,O=C1CN(C[*])CCN1C[*] | |
| N#Cc1ccc2cc1Oc1ccc(CC(O)CO)c(c1)CN1CCN(CC1=O)Cc1cncn1C2,LIN0184,"Amine,Amide,Ring structure ",7,6.5,MCD00204,MCD00204,O=C1CN(C[*])CCN1C[*] | |
| CC(C)(C)C#Cc1ccc2cc1CN1CCN(CC1=O)Cc1cncn1Cc1ccc(C#N)c(c1)O2,LIN0184,"Amine,Amide,Ring structure ",7,6.5,MCD00207,MCD00207,O=C1CN(C[*])CCN1C[*] | |
| CC(C)(C)CCc1ccc2cc1CN1CCN(CC1=O)Cc1cncn1Cc1ccc(C#N)c(c1)O2,LIN0184,"Amine,Amide,Ring structure ",7,6.5,MCD00208,MCD00208,O=C1CN(C[*])CCN1C[*] | |
| CC1(C)OCC(Cc2ccc3cc2CN2CCN(CC2=O)Cc2cncn2Cc2ccc(C#N)c(c2)O3)O1,LIN0184,"Amine,Amide,Ring structure ",7,6.5,MCD00244,MCD00244,O=C1CN(C[*])CCN1C[*] | |
| N#Cc1ccc2cc1Oc1ccc(C(=O)NC3C4CC5CC(C4)CC3C5)c(c1)CN1CCN(CC1=O)Cc1cncn1C2,LIN0184,"Amine,Amide,Ring structure ",7,6.5,MCD00466,MCD00466,O=C1CN(C[*])CCN1C[*] | |
| O=C1CN2CCc3cncn3Cc3cccc(c3)Oc3ccc4cccc(c4c3)N1CC2,LIN0198,"Amine,Amide,Ring structure ",7,7.4,MCD00134,MCD00134,O=C1CN(CC[*])CCN1[*] | |
| O=C1CN2CCc3cncn3Cc3ccc(Br)c(c3)Oc3ccc4cccc(c4c3)N1CC2,LIN0198,"Amine,Amide,Ring structure ",7,7.4,MCD00145,MCD00145,O=C1CN(CC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CCN(CC1=O)Cc1cncn1C2,LIN0198,"Amine,Amide,Ring structure ",7,7.4,MCD00146,MCD00146,O=C1CN(CC[*])CCN1[*] | |
| O=C1CN2CCc3cncn3Cc3ccc(CCCCC(F)(F)F)c(c3)Oc3ccc4cccc(c4c3)N1CC2,LIN0198,"Amine,Amide,Ring structure ",7,7.4,MCD00267,MCD00267,O=C1CN(CC[*])CCN1[*] | |
| O=C1CN2CCc3cncn3Cc3ccc(C#CCCC(F)(F)F)c(c3)Oc3ccc4cccc(c4c3)N1CC2,LIN0198,"Amine,Amide,Ring structure ",7,7.4,MCD00268,MCD00268,O=C1CN(CC[*])CCN1[*] | |
| O=C1CN2CCc3cncn3Cc3ccc(-c4ccc(C(F)(F)F)cc4)c(c3)Oc3ccc4cccc(c4c3)N1CC2,LIN0198,"Amine,Amide,Ring structure ",7,7.4,MCD00451,MCD00451,O=C1CN(CC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CCN(CCc3cncn3C2)CC1=O,LIN0198,"Amine,Amide,Ring structure ",7,7.2,MCD00191,MCD00191,O=C1CN(CC[*])CCN1[*] | |
| CCCCc1ccc2cc1Oc1ccc3cccc(c3c1)N1CCN(CCc3cncn3C2)CC1=O,LIN0198,"Amine,Amide,Ring structure ",7,7.2,MCD00214,MCD00214,O=C1CN(CC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3c(c1)[C@@H](CCC3)N1CCC(NCc3cncn3C2)C1=O,LIN0204,"Amine,Amide,Ring structure ",6,7.1,MCD00147,MCD00147,O=C1C(NC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CCC(NCc3cncn3C2)C1=O,LIN0204,"Amine,Amide,Ring structure ",6,7.8,MCD00395,MCD00395,O=C1C(NC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1cccc(c1)-c1ccccc1N1CCC(NCc3cncn3C2)C1=O,LIN0204,"Amine,Amide,Ring structure ",6,7.8,MCD14713,MCD14713,O=C1C(NC[*])CCN1[*] | |
| Cc1c2cc(cc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)NC(=O)CCCCCCN[C@H]1CCCN(C1)c1ccc3ncc(n3n1)C#C2,LIN0310,"Amine,Amide,Ring structure ",13,8.8,MCD00491,MCD00491,O=C(CCCCCCN[C@H]1CCCN([*])C1)N[*] | |
| N#Cc1ccc2cc1Oc1ccc3c(c1)[C@@H](CC3)N1CC[C@@H](NCc3cncn3C2)C1=O,LIN0385,"Amine,Amide,Ring structure ",6,7.6,MCD04300,MCD04300,O=C1[C@H](NC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3c(c1)[C@@H](CCO3)N1CC[C@@H](NCc3cncn3C2)C1=O,LIN0385,"Amine,Amide,Ring structure ",6,7.6,MCD04301,MCD04301,O=C1[C@H](NC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3c(c1)[C@@H](CCC3)N1CC[C@@H](NCc3cncn3C2)C1=O,LIN0385,"Amine,Amide,Ring structure ",6,7.6,MCD04302,MCD04302,O=C1[C@H](NC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1cccc(c1)-c1ccccc1N1CC[C@@H](NCc3cncn3C2)C1=O,LIN0385,"Amine,Amide,Ring structure ",6,7.4,MCD04310,MCD04310,O=C1[C@H](NC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CC[C@@H](NCc3cncn3C2)C1=O,LIN0385,"Amine,Amide,Ring structure ",6,7.4,MCD04312,MCD04312,O=C1[C@H](NC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1cccc(c1)CN1CC[C@@H](NCc3cncn3C2)C1=O,LIN0386,"Amine,Amide,Ring structure ",7,6.6,MCD04303,MCD04303,O=C1[C@H](NC[*])CCN1C[*] | |
| N#Cc1ccc2cc1Oc1cc(Cl)cc(c1)CN1CC[C@@H](NCc3cncn3C2)C1=O,LIN0386,"Amine,Amide,Ring structure ",7,6.6,MCD04305,MCD04305,O=C1[C@H](NC[*])CCN1C[*] | |
| CC1c2ccc(C#N)c(c2)Oc2cccc(c2)CN2CC[C@@H](NCc3cncn31)C2=O,LIN0386,"Amine,Amide,Ring structure ",7,6.6,MCD04308,MCD04308,O=C1[C@H](NC[*])CCN1C[*] | |
| N#Cc1ccc2cc1Oc1ccc(Br)c(c1)CN1CC[C@@H](NCc3cncn3C2)C1=O,LIN0386,"Amine,Amide,Ring structure ",7,6.6,MCD04309,MCD04309,O=C1[C@H](NC[*])CCN1C[*] | |
| N#Cc1ccc2cc1Oc1cccc(c1)CN1CC[C@H](NCc3cncn3C2)C1=O,LIN0387,"Amine,Amide,Ring structure ",7,8.6,MCD04304,MCD04304,O=C1[C@@H](NC[*])CCN1C[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CC[C@H](NCc3cncn3C2)C1=O,LIN0390,"Amine,Amide,Ring structure ",6,7.8,MCD04311,MCD04311,O=C1[C@@H](NC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3c(c1)[C@@H](CC3)N1CC[C@H](NCc3cncn3C2)C1=O,LIN0390,"Amine,Amide,Ring structure ",6,6.6,MCD04320,MCD04320,O=C1[C@@H](NC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3c(c1)[C@H](CC3)N1CC[C@@H](NCc3cncn3C2)C1=O,LIN0390,"Amine,Amide,Ring structure ",6,6.6,MCD04321,MCD04321,O=C1[C@@H](NC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3c(c1)[C@H](CC3)N1CC[C@H](NCc3cncn3C2)C1=O,LIN0390,"Amine,Amide,Ring structure ",6,6.6,MCD04322,MCD04322,O=C1[C@@H](NC[*])CCN1[*] | |
| CN1Cc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3c(c2)[C@@H](CC3)N2CC[C@@H]1C2=O,LIN0390,"Amine,Amide,Ring structure ",6,6.6,MCD04323,MCD04323,O=C1[C@@H](NC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3c(c1)[C@@H](CCC3)N1CC[C@H](NCc3cncn3C2)C1=O,LIN0390,"Amine,Amide,Ring structure ",6,6.6,MCD04324,MCD04324,O=C1[C@@H](NC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CC[C@H](NCCc3cncn3C2)C1=O,LIN0394,"Amine,Amide,Ring structure ",7,8,MCD04316,MCD04316,O=C1[C@@H](NCC[*])CCN1[*] | |
| N#C[C@H]1CC=C2CC1Oc1ccc3cccc(c3c1)N1CC[C@H](NCCc3cncn3C2)C1=O,LIN0394,"Amine,Amide,Ring structure ",7,8,MCD18516,MCD18516,O=C1[C@@H](NCC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CC[C@@H](NCCc3cncn3C2)C1=O,LIN0395,"Amine,Amide,Ring structure ",7,8,MCD04317,MCD04317,O=C1[C@H](NCC[*])CCN1[*] | |
| Cc1c2c(n3c1CCC(=O)N1CCC[C@@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0432,"Amine,Amide,Ring structure ",8,9.2,MCD04890,MCD04890,O=C(CC[*])N1CCC[C@@H]1CN[*] | |
| O=C1c2cc(ccc2-n2nccn2)CCCCc2ccc3cc(ccc3c2)N2CCCN1CC2,LIN0576,"Amine,Amide,Ring structure ",6,5.6,MCD10422,MCD10422,O=C([*])N1CCCN([*])CC1 | |
| CC1=C2CC(=O)NCc3cc(Cl)ccc3CNC(=O)OCOC(=O)c3cccc(c3)CNN(CC1)C2=O,LIN0797,"Amine,Amide,Ring structure ",10,8.2,MCD12432,MCD12432,CC1=C(CC(=O)NC[*])C(=O)N(NC[*])CC1 | |
| N#CC1CC=C2CC1Oc1ccc3cccc(c3c1)N1CCC(NCCc3cncn3C2)C1=O,LIN0814,"Amine,Amide,Ring structure ",7,7.9,MCD12850,MCD12850,O=C1C(NCC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CCC(NCCc3cncn3C2)C1=O,LIN0814,"Amine,Amide,Ring structure ",7,7.9,MCD14027,MCD14027,O=C1C(NCC[*])CCN1[*] | |
| N#Cc1ccc2cc1Oc1ccc(Br)c(c1)CN1CCC(NCc3cncn3C2)C1=O,LIN0867,"Amine,Amide,Ring structure ",7,8.7,MCD14025,MCD14025,O=C1C(NC[*])CCN1C[*] | |
| CC1c2ccc(C#N)c(c2)Oc2cccc(c2)CN2CCC(NCc3cncn31)C2=O,LIN0867,"Amine,Amide,Ring structure ",7,8.7,MCD14028,MCD14028,O=C1C(NC[*])CCN1C[*] | |
| N#Cc1ccc2cc1Oc1cc(Cl)cc(c1)CN1CCC(NCc3cncn3C2)C1=O,LIN0867,"Amine,Amide,Ring structure ",7,8.7,MCD14716,MCD14716,O=C1C(NC[*])CCN1C[*] | |
| CN1Cc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3c(c2)C(CC3)N2CCC1C2=O,LIN0867,"Amine,Amide,Ring structure ",7,7.4,MCD14715,MCD14715,O=C1C(NC[*])CCN1C[*] | |
| CN1Cc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)N2CCC1C2=O,LIN0868,"Amine,Amide,Ring structure ",6,7.4,MCD14026,MCD14026,CN(C[*])C1CCN([*])C1=O | |
| Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)NCCN(C)CCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3,LIN0293,"Amine,Amide,Sulfonamide",10,8.5,MCD00445,MCD00445,CN(CCNC(=O)[*])CCNS(=O)(=O)[*] | |
| CCCc1ccc2c(c1)-c1ccc(cc1)Cn1c(CCC)nc3ccc(cc3c1=O)NCCCCCCC(=O)NS2(=O)=O,LIN0371,"Amine,Amide,Sulfonamide",11,12.2,MCD03389,MCD03389,O=C(CCCCCCN[*])NS(=O)(=O)[*] | |
| CCCc1ccc2c(c1)-c1ccc(cc1)Cn1c(CCC)nc3ccc(cc3c1=O)N(C(=O)OCc1ccccc1)CCCCCCCC(=O)NS2(=O)=O,LIN0372,"Amine,Amide,Sulfonamide",12,11.7,MCD03412,MCD03412,O=C(CCCCCCCN([*])C(=O)OCc1ccccc1)NS(=O)(=O)[*] | |
| CCCc1nc2ccc3cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCCCCCCN3C(=O)OCc1ccccc1,LIN0372,"Amine,Amide,Sulfonamide",12,11.7,MCD03431,MCD03431,O=C(CCCCCCCN([*])C(=O)OCc1ccccc1)NS(=O)(=O)[*] | |
| CCCc1nc2ccc3cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCCCCCCN3,LIN0373,"Amine,Amide,Sulfonamide",12,14,MCD03416,MCD03416,O=C(CCCCCCCN[*])NS(=O)(=O)[*] | |
| CCCc1ccc2c(c1)-c1ccc(cc1)Cn1c(CCC)nc3ccc(cc3c1=O)NCCCCCCCC(=O)NS2(=O)=O,LIN0373,"Amine,Amide,Sulfonamide",12,10.9,MCD03427,MCD03427,O=C(CCCCCCCN[*])NS(=O)(=O)[*] | |
| CCCc1nc2ccc3cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCCCCN3C(=O)OCc1ccccc1,LIN0374,"Amine,Amide,Sulfonamide",10,11.4,MCD03424,MCD03424,O=C(CCCCCN([*])C(=O)OCc1ccccc1)NS(=O)(=O)[*] | |
| CCCc1nc2ccc3cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCCCCCCN3C(=O)c1ccccc1,LIN0375,"Amine,Amide,Sulfonamide",12,11.1,MCD03442,MCD03442,O=C(CCCCCCCN([*])C(=O)c1ccccc1)NS(=O)(=O)[*] | |
| COc1ccc(-c2c(C3CCCCC3)c3ccc4cc3n2CC(=O)NCCN(C)CCNS(=O)(=O)NC4=O)cc1,LIN0487,"Amine,Amide,Sulfonamide",13,14.3,MCD06714,MCD06714,CN(CCNC(=O)C[*])CCNS(=O)(=O)NC(=O)[*] | |
| CN1Cc2ccncc2N(S(C)(=O)=O)C/C=C/c2cc(ccc2N2CCOCC2)Nc2ncc(C(F)(F)F)c1n2,LIN0023,"Amine,Double bond",5,6.4,MCD06513,MCD06513,CS(=O)(=O)N([*])C/C=C/[*] | |
| CN1Cc2cccnc2N(S(C)(=O)=O)C/C=C/c2cc(ccc2N2CCOCC2)Nc2ncc(C(F)(F)F)c1n2,LIN0023,"Amine,Double bond",5,6.4,MCD06514,MCD06514,CS(=O)(=O)N([*])C/C=C/[*] | |
| CS(=O)(=O)N1C/C=C/c2cc(ccc2N2CCOCC2)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21,LIN0023,"Amine,Double bond",5,6.4,MCD06516,MCD06516,CS(=O)(=O)N([*])C/C=C/[*] | |
| CS(=O)(=O)N1C/C=C/c2cccc(c2)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21,LIN0023,"Amine,Double bond",5,6.4,MCD06518,MCD06518,CS(=O)(=O)N([*])C/C=C/[*] | |
| C/C1=C/C[C@H]2CNC(=O)c3cc([nH]c32)-c2cccc3nc(C)c(nc23)NC1,LIN0051,"Amine,Double bond",6,6.5,MCD06358,MCD06358,C/C(=C/C[*])CN[*] | |
| C/C1=C\C[C@H]2CNC(=O)c3cc([nH]c32)-c2cccc3nc(C)c(nc23)NC1,LIN0051,"Amine,Double bond",6,6.5,MCD06360,MCD06360,C/C(=C/C[*])CN[*] | |
| Cc1nc2cccc3c2nc1NC/C=C\C[C@@H]1CNC(=O)c2cc-3[nH]c21,LIN0088,"Amine,Double bond",6,6.3,MCD06365,MCD06365,[*]C/C=C\CN[*] | |
| Cc1nc2cccc3c2nc1NC/C=C\C[C@H]1CNC(=O)c2cc-3[nH]c21,LIN0088,"Amine,Double bond",6,6.3,MCD06366,MCD06366,[*]C/C=C\CN[*] | |
| Cc1nc2cccc3c2nc1NC/C=C/C[C@@H]1CNC(=O)c2cc-3[nH]c21,LIN0088,"Amine,Double bond",6,6.3,MCD06367,MCD06367,[*]C/C=C\CN[*] | |
| Cc1nc2cccc3c2nc1NC/C=C/C[C@H]1CNC(=O)c2cc-3[nH]c21,LIN0088,"Amine,Double bond",6,6.3,MCD06368,MCD06368,[*]C/C=C\CN[*] | |
| C1=C\CNc2cc[n+](c3ccccc23)CCCCC[n+]2ccc(c3ccccc32)NC/1,LIN0465,"Amine,Double bond",7,8.1,MCD05405,MCD05405,[*]NC/C=C\CN[*] | |
| FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCC/C=C/C2,LIN0524,"Amine,Double bond",10,10.2,MCD08205,MCD08205,[*]C/C=C/CCCCCN[*] | |
| FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCC/C=C/C2,LIN0525,"Amine,Double bond",7,6.6,MCD08206,MCD08206,[*]C/C=C/CCN[*] | |
| FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCC/C=C/C2,LIN0530,"Amine,Double bond",8,8.6,MCD08212,MCD08212,[*]C/C=C/CCCN[*] | |
| COC(=O)Nc1ccc2c(c1)NC(C(F)(F)F)CC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0634,"Amine,Double bond",9,9,MCD11584,MCD11584,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CCC(N[*])C(F)(F)F | |
| COC(=O)Nc1ccc2c(c1)NCCC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0744,"Amine,Double bond",9,9.9,MCD12012,MCD12012,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CCCN[*] | |
| COC(=O)Nc1ccc2c(c1)N[C@@H](C(F)(F)F)CC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0802,"Amine,Double bond",9,8.6,MCD12538,MCD12538,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CC[C@@H](N[*])C(F)(F)F | |
| O=C1NCCN(C2CC2)C=CN(CCO)c2ccn3ncc(c3n2)-c2cccc1c2,LIN0831,"Amine,Double bond",9,10,MCD13116,MCD13116,O=C([*])NCCN(C=CN([*])CCO)C1CC1 | |
| OCCN1/C=C/N(C2CC2)CCN=C(O)c2cccc(c2)-c2cnn3ccc1nc23,LIN0934,"Amine,Double bond",9,9,MCD18476,MCD18476,OCCN([*])/C=C/N(CCN=C(O)[*])C1CC1 | |
| O=C1OCCCCCNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc1cc(C(F)(F)F)c2,LIN0541,"Amine,Ester",9,10.7,MCD08229,MCD08229,O=C([*])OCCCCCN[*] | |
| CS(=O)(=O)N1Cc2cccc(c2)C(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21,LIN0019,"Amine,Ring structure ",8,9.7,MCD06510,MCD06510,CS(=O)(=O)N(C[*])c1cc(CN[*])ccn1 | |
| Cc1c2c(n3c1CCCN1CCC[C@@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0113,"Amine,Ring structure ",8,7.8,MCD04878,MCD04878,[*]CCCN1CCC[C@@H]1CN[*] | |
| Cc1c2c(n3c1CCCN1CCC[C@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0113,"Amine,Ring structure ",8,7.8,MCD04879,MCD04879,[*]CCCN1CCC[C@@H]1CN[*] | |
| Cc1c2c(n3c1CCCN1CCC[C@@H]1CNc1cc-3ccc1C(=N)O)CC(C)(C)CC2=O,LIN0113,"Amine,Ring structure ",8,7.8,MCD18488,MCD18488,[*]CCCN1CCC[C@@H]1CN[*] | |
| CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5([Si](C)(C)C)CC5)n4)nc3N1C2,LIN0256,"Amine,Ring structure ",8,7.3,MCD00476,MCD00476,CC1(C)C[C@H](CCCN[*])CN1[*] | |
| CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OC[Si](C)(C)C5(C(F)(F)F)CC5)n4)nc3N1C2,LIN0256,"Amine,Ring structure ",8,7.3,MCD00482,MCD00482,CC1(C)C[C@H](CCCN[*])CN1[*] | |
| Cc1c2c(n3c1CCCN1CCCC1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0289,"Amine,Ring structure ",8,7,MCD00379,MCD00379,[*]CCCN1CCCC1CN[*] | |
| N#Cc1ccc2cc1Oc1cccc(c1)C(c1ccccc1)N1CC[C@@H](NCc3cncn3C2)C1=O,LIN0388,"Amine,Ring structure ",7,7.3,MCD04306,MCD04306,O=C1[C@H](NC[*])CCN1C([*])c1ccccc1 | |
| N#Cc1ccc2cc1Oc1cccc(c1)C(c1cccc(Cl)c1)N1CC[C@@H](NCc3cncn3C2)C1=O,LIN0389,"Amine,Ring structure ",7,8.2,MCD04307,MCD04307,O=C1[C@H](NC[*])CCN1C([*])c1cccc(Cl)c1 | |
| Cc1c2c(n3c1CCCN1CCCC[C@@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0422,"Amine,Ring structure ",8,8.7,MCD04880,MCD04880,[*]CCCN1CCCC[C@@H]1CN[*] | |
| Cc1c2c(n3c1CCCN1CCOC[C@@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0423,"Amine,Ring structure ",8,9,MCD04881,MCD04881,[*]CCCN1CCOC[C@@H]1CN[*] | |
| Cc1c2c(n3c1CCCN1CCNC[C@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0424,"Amine,Ring structure ",8,8.2,MCD04882,MCD04882,[*]CCCN1CCNC[C@H]1CN[*] | |
| CC(=O)N1CCN2CCCc3c(C)c4c(n3-c3ccc(C(N)=O)c(c3)NC[C@H]2C1)CC(C)(C)CC4=O,LIN0425,"Amine,Ring structure ",8,8.1,MCD04883,MCD04883,CC(=O)N1CCN(CCC[*])[C@@H](CN[*])C1 | |
| Cc1c2c(n3c1CCCN1CC[C@H](CNc4cc-3ccc4C(N)=O)C1)CC(C)(C)CC2=O,LIN0426,"Amine,Ring structure ",9,7.7,MCD04884,MCD04884,[*]CCCN1CC[C@H](CN[*])C1 | |
| Cc1c2c(n3c1CCCN1C[C@H](O)C[C@@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0427,"Amine,Ring structure ",8,7.3,MCD04885,MCD04885,O[C@@H]1C[C@H](CN[*])N(CCC[*])C1 | |
| Cc1c2c(n3c1CCCN1C[C@@H](F)C[C@@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0428,"Amine,Ring structure ",8,8.7,MCD04886,MCD04886,F[C@H]1C[C@H](CN[*])N(CCC[*])C1 | |
| CC(=O)N[C@H]1C[C@@H]2CNc3cc(ccc3C(N)=O)-n3c(c(C)c4c3CC(C)(C)CC4=O)CCCN2C1,LIN0429,"Amine,Ring structure ",8,8.3,MCD04887,MCD04887,CC(=O)N[C@H]1C[C@H](CN[*])N(CCC[*])C1 | |
| Cc1c2c(n3c1CCCN1C[C@@H](N4CCCC4)C[C@@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0430,"Amine,Ring structure ",8,6.3,MCD04888,MCD04888,[*]CCCN1C[C@@H](N2CCCC2)C[C@@H]1CN[*] | |
| Cc1c2c(n3c1CCCCN1CCC[C@@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0431,"Amine,Ring structure ",9,9.6,MCD04889,MCD04889,[*]CCCCN1CCC[C@@H]1CN[*] | |
| Cc1c2c(n3c1CCCN1CCCC[C@@H]1[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0433,"Amine,Ring structure ",8,10.3,MCD04891,MCD04891,C[C@H](N[*])[C@H]1CCCCN1CCC[*] | |
| Cc1c2c(n3c1CCCN1CC[C@@H](C1)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0434,"Amine,Ring structure ",8,8.5,MCD04892,MCD04892,[*]CCCN1CC[C@H](N[*])C1 | |
| Cc1c2c(n3c1CCCN1CCC[C@@H](C1)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0435,"Amine,Ring structure ",8,8.3,MCD04893,MCD04893,[*]CCCN1CCC[C@H](N[*])C1 | |
| c1cc2cc(c1)C[n+]1ccc(c3ccccc31)NCC1CCC(CC1)CNc1cc[n+](c3ccccc13)C2,LIN0464,"Amine,Ring structure ",9,10.4,MCD05400,MCD05400,[*]NCC1CCC(CN[*])CC1 | |
| N#Cc1ccc2cc1Oc1cccc(c1)C(c1ccccc1)N1CCC(NCc3cncn3C2)C1=O,LIN0881,"Amine,Ring structure ",7,7.2,MCD14712,MCD14712,O=C1C(NC[*])CCN1C([*])c1ccccc1 | |
| N#Cc1ccc2cc1Oc1cccc(c1)C(c1cccc(Cl)c1)N1CCC(NCc3cncn3C2)C1=O,LIN0882,"Amine,Ring structure ",7,8.2,MCD14714,MCD14714,O=C1C(NC[*])CCN1C([*])c1cccc(Cl)c1 | |
| CC(C)c1cnn2c3nc(nc12)NCC1(CCCCc2ccccc2CN3)CCNC1,LIN0906,"Amine,Ring structure ",8,10.2,MCD17899,MCD17899,[*]CCCCC1(CN[*])CCNC1 | |
| CC(C)c1cnn2c3nc(nc12)NCC1(CCCCc2ccccc2CN3)CCCNC1,LIN0909,"Amine,Ring structure ",8,7.9,MCD17902,MCD17902,[*]CCCCC1(CN[*])CCCNC1 | |
| O=S1(=O)NCCCNc2nc(ncc2Br)Nc2cccc1c2,LIN0003,"Amine,Sulfonamide",7,7.8,MCD05279,MCD05279,O=S(=O)([*])NCCCN[*] | |
| COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F,LIN0003,"Amine,Sulfonamide",7,7.7,MCD13290,MCD13290,O=S(=O)([*])NCCCN[*] | |
| COc1ncc2cc1S(=O)(=O)NCCN(C)Cc1ccc3c(c1)N2CCO3,LIN0503,"Amine,Sulfonamide",7,7.7,MCD08073,MCD08073,CN(C[*])CCNS(=O)(=O)[*] | |
| COc1ncc2cc1NS(=O)(=O)CCN(C)Cc1ccc3c(c1)N2CCO3,LIN0505,"Amine,Sulfonamide",7,7.7,MCD08075,MCD08075,CN(C[*])CCS(=O)(=O)N[*] | |
| COc1ncc2cc1S(=O)(=O)NCCCNCc1ccc3c(c1)N2CCO3,LIN0507,"Amine,Sulfonamide",8,7.8,MCD08077,MCD08077,O=S(=O)([*])NCCCNC[*] | |
| COc1ncc2cc1S(=O)(=O)NCCCN(C)Cc1ccc3c(c1)N2CCO3,LIN0508,"Amine,Sulfonamide",8,9.3,MCD08078,MCD08078,CN(C[*])CCCNS(=O)(=O)[*] | |
| COc1ncc2cc1NS(=O)(=O)CCCNCc1ccc3c(c1)N2CCO3,LIN0511,"Amine,Sulfonamide",8,9.9,MCD08081,MCD08081,O=S(=O)(CCCNC[*])N[*] | |
| COc1ncc2cc1S(=O)(=O)NCCCCNCc1ccc3c(c1)N2CCO3,LIN0513,"Amine,Sulfonamide",9,7.7,MCD08083,MCD08083,O=S(=O)([*])NCCCCNC[*] | |
| COc1ncc2cc1S(=O)(=O)NCCCCN(C)Cc1ccc3c(c1)N2CCO3,LIN0514,"Amine,Sulfonamide",9,8.7,MCD08084,MCD08084,CN(C[*])CCCCNS(=O)(=O)[*] | |
| COc1ncc2cc1NS(=O)(=O)CCCCN(C)Cc1ccc3c(c1)N2CCO3,LIN0517,"Amine,Sulfonamide",9,9.1,MCD08087,MCD08087,CN(C[*])CCCCS(=O)(=O)N[*] | |
| CN1CCN(c2ccc3cc2/C=C\c2cccc(c2)Nc2nc(ncc2Cl)N3)CC1,LIN0149,Double bond,3,3.7,MCD05077,MCD05077,[*]/C=C\[*] | |
| COc1ccc2cc1Nc1nc(ncc1Cl)Nc1ccc(N3CCN(C)CC3)c(c1)/C=C\2,LIN0149,Double bond,3,3.7,MCD05078,MCD05078,[*]/C=C\[*] | |
| COc1cc(N2CCN(C)CC2)c2cc1Nc1ncc(Cl)c(n1)Nc1cc(ccc1N(C)S(C)(=O)=O)/C=C\2,LIN0149,Double bond,3,3.7,MCD05079,MCD05079,[*]/C=C\[*] | |
| Cc1cc2c(c(=O)[nH]1)CNC(=O)c1cc(Cl)cc(O[C@H]3CC[C@H](N)CC3)c1C/C=C\CC2,LIN0202,Double bond,6,6.2,MCD00140,MCD00140,[*]C/C=C\CC[*] | |
| CN1CCN(c2ccc(Nc3ncc4c(=O)n5n(c4n3)-c3cccc(n3)[C@@](C)(O)CCC/C=C\C5)cc2)CC1,LIN0253,Double bond,8,5.7,MCD00255,MCD00255,C[C@@](O)([*])CCC/C=C\C[*] | |
| CN1CC2CN(c3ccc(Nc4ncc5c(=O)n6n(c5n4)-c4cccc(n4)C(C)(O)CCC/C=C\C6)cc3)CC2C1,LIN0294,Double bond,8,7.9,MCD00450,MCD00450,CC(O)([*])CCC/C=C\C[*] | |
| C1=C\C[n+]2ccc(c3ccccc32)NCCCCCNc2cc[n+](c3ccccc23)C/1,LIN0466,Double bond,5,5.9,MCD05406,MCD05406,[*]C/C=C\C[*] | |
| Oc1cc(O)c2c(c1)C/C(Cl)=C\Cc1cc(c(Cl)cc1O)Oc1c(O)cc(cc1O)C/C(Cl)=C\Cc1cc(c(Cl)cc1O)O2,LIN0476,Double bond,5,5.7,MCD05493,MCD05493,[*]C/C=C(/Cl)C[*] | |
| Cc1cc2c(c(=O)[nH]1)CNC(=O)c1cc(Cl)cc(O[C@H]3CC[C@H](N)CC3)c1C/C=C/CC2,LIN0477,Double bond,6,7.4,MCD05745,MCD05745,[*]C/C=C/CC[*] | |
| Cc1cc2c(c(=O)[nH]1)CNC(=O)c1cc(Cl)cc(O[C@H]3CC[C@H](N(C)C)CC3)c1C/C=C/CCC2,LIN0478,Double bond,7,7.2,MCD05748,MCD05748,[*]C/C=C/CCC[*] | |
| NC[C@H]1CC[C@H](C(=O)N[C@H]2C/C=C/CCCc3ccccc3-c3c[nH]c2n3)CC1,LIN0606,Double bond,8,6.3,MCD11547,MCD11547,NC[C@H]1CC[C@H](C(=O)N[C@H]([*])C/C=C/CCC[*])CC1 | |
| COC(=O)Nc1ccc2c(c1)CCC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0607,Double bond,8,7.9,MCD11548,MCD11548,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CCC[*] | |
| COC(=O)Nc1ccc2c(c1)CCCC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0738,Double bond,9,9,MCD11999,MCD11999,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CCCC[*] | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCCCCCn1cc2c2ccccc21,LIN0879,Double bond,8,9.5,MCD14616,MCD14616,[*]CCCCCCC[*] | |
| Oc1ccc2cc1Oc1ccc(cc1)CCCCCCC2,LIN0879,Double bond,8,9.5,MCD16028,MCD16028,[*]CCCCCCC[*] | |
| COc1c2ccc(c1O)CCCCC(=O)CCc1ccc(O)c(c1)O2,LIN0884,Double bond,8,7.6,MCD15119,MCD15119,O=C(CC[*])CCCC[*] | |
| O=C1CCCCc2ccc(OC(=O)c3ccccc3)c(c2)Oc2ccc(cc2)CC1,LIN0884,Double bond,8,7.6,MCD16020,MCD16020,O=C(CC[*])CCCC[*] | |
| O=C1CCCCc2ccc(OCc3ccccc3)c(c2)Oc2ccc(cc2)CC1,LIN0884,Double bond,8,7.6,MCD16024,MCD16024,O=C(CC[*])CCCC[*] | |
| CC(=O)Oc1ccc2cc1Oc1ccc(cc1)CCC(=O)CCCC2,LIN0884,Double bond,8,7.6,MCD16030,MCD16030,O=C(CC[*])CCCC[*] | |
| O=C1CCCCc2ccc(O)c(c2)Oc2ccc(cc2)CC1,LIN0884,Double bond,8,7.6,MCD16034,MCD16034,O=C(CC[*])CCCC[*] | |
| COc1ccc2cc1Oc1ccc(cc1)CCCCC(=O)CC2,LIN0884,Double bond,8,7.5,MCD16019,MCD16019,O=C(CC[*])CCCC[*] | |
| COc1cc2ccc1Oc1cc(ccc1OC)CC[C@H](O)CCCC2,LIN0885,Double bond,8,8.9,MCD15120,MCD15120,O[C@@H](CC[*])CCCC[*] | |
| Oc1ccc2cc1Oc1ccc(cc1)CC[C@H](O)CCCC2,LIN0885,Double bond,8,8.9,MCD16025,MCD16025,O[C@@H](CC[*])CCCC[*] | |
| O[C@H]1CCCCc2ccc(OCc3ccccc3)c(c2)Oc2ccc(cc2)CC1,LIN0888,Double bond,8,8.7,MCD16017,MCD16017,O[C@H](CC[*])CCCC[*] | |
| COc1ccc2cc1Oc1ccc(cc1)CC[C@@H](O)CCCC2,LIN0888,Double bond,8,8.7,MCD16033,MCD16033,O[C@H](CC[*])CCCC[*] | |
| Oc1ccc2cc1Oc1ccc(cc1)CCCC[C@H](O)CC2,LIN0888,Double bond,8,8.6,MCD16027,MCD16027,O[C@H](CC[*])CCCC[*] | |
| COc1ccc2cc1Oc1ccc(cc1)CCCCC(O)CC2,LIN0891,Double bond,8,8.6,MCD16026,MCD16026,OC(CC[*])CCCC[*] | |
| O=C1CCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1,LIN0924,"Double bond,Ester",12,13.7,MCD18438,MCD18438,O=C(C[*])CCC/C=C/CCOC(=O)[*] | |
| CN(c1cc2cc(n1)CCCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O,LIN0379,Ester,6,7.6,MCD04026,MCD04026,C[C@@](N)(C[*])C(=O)OC[*] | |
| CN(c1cc2cc(n1)N(CC1CC1)CCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O,LIN0379,Ester,6,7.6,MCD04030,MCD04030,C[C@@](N)(C[*])C(=O)OC[*] | |
| CN(c1cc2cc(n1)N(Cc1ccccc1)CCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O,LIN0379,Ester,6,7.6,MCD04032,MCD04032,C[C@@](N)(C[*])C(=O)OC[*] | |
| CN(c1cc2cc(n1)NCCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O,LIN0379,Ester,6,7.6,MCD04033,MCD04033,C[C@@](N)(C[*])C(=O)OC[*] | |
| CN(C)S(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2,LIN0379,Ester,6,7.6,MCD04090,MCD04090,C[C@@](N)(C[*])C(=O)OC[*] | |
| C[C@@]1(N)Cc2ccc(F)c(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3cccc(F)c3C#N)c2)COC1=O,LIN0379,Ester,6,7.5,MCD04082,MCD04082,C[C@@](N)(C[*])C(=O)OC[*] | |
| C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3cccc(F)c3C#N)c2)COC1=O,LIN0379,Ester,6,7.5,MCD04083,MCD04083,C[C@@](N)(C[*])C(=O)OC[*] | |
| C[C@@]1(N)Cc2cccc(c2F)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O,LIN0379,Ester,6,7.5,MCD04084,MCD04084,C[C@@](N)(C[*])C(=O)OC[*] | |
| C[C@@]1(N)Cc2ccc(F)c(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O,LIN0379,Ester,6,7.5,MCD04085,MCD04085,C[C@@](N)(C[*])C(=O)OC[*] | |
| C[C@@]1(N)Cc2cc(F)cc(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O,LIN0379,Ester,6,7.5,MCD04086,MCD04086,C[C@@](N)(C[*])C(=O)OC[*] | |
| C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O,LIN0379,Ester,6,7.5,MCD04087,MCD04087,C[C@@](N)(C[*])C(=O)OC[*] | |
| C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(-c3ncco3)c2)COC1=O,LIN0379,Ester,6,7.5,MCD04088,MCD04088,C[C@@](N)(C[*])C(=O)OC[*] | |
| C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(Br)cc(c2)COC1=O,LIN0379,Ester,6,7.5,MCD04089,MCD04089,C[C@@](N)(C[*])C(=O)OC[*] | |
| C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(N(c3ccccc3)S(C)(=O)=O)c2)COC1=O,LIN0379,Ester,6,7.5,MCD04101,MCD04101,C[C@@](N)(C[*])C(=O)OC[*] | |
| C[C@@H]1CCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc(nc(N(C)S(C)(=O)=O)c2)CC1,LIN0379,Ester,6,7.5,MCD18493,MCD18493,C[C@@](N)(C[*])C(=O)OC[*] | |
| C[C@@]1(N)Cc2cccc(c2)C=CC(c2ccccc2)=NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O,LIN0379,Ester,6,7.5,MCD18598,MCD18598,C[C@@](N)(C[*])C(=O)OC[*] | |
| CC1(N)Cc2cccc(c2)C=CC(c2ccccc2)=NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O,LIN0817,Ester,6,6.6,MCD12899,MCD12899,CC(N)(C[*])C(=O)OC[*] | |
| COc1ccc2cc1Oc1ccc(cc1)C1OC1COC(=O)CC2,LIN0894,Ester,8,8,MCD16145,MCD16145,O=C(CC[*])OCC1OC1[*] | |
| COc1c(Br)cc2cc1Oc1ccc(cc1)CC(O)COC(=O)CC2,LIN0895,Ester,8,9.6,MCD16146,MCD16146,O=C(CC[*])OCC(O)C[*] | |
| COc1ccc2cc1Oc1ccc(cc1)CC(O)COC(=O)CC2,LIN0895,Ester,8,9.6,MCD16147,MCD16147,O=C(CC[*])OCC(O)C[*] | |
| COc1ccc2cc1Oc1ccc(cc1)CC(I)COC(=O)CC2,LIN0896,Ester,8,9.7,MCD16148,MCD16148,O=C(CC[*])OCC(I)C[*] | |
| O=C1CCC/C=C\CCOC(=O)c2c(O)cc(O)c(Cl)c2C1,LIN0923,"Ester,Double bond",12,9.3,MCD18437,MCD18437,O=C(C[*])CCC/C=C\CCOC(=O)[*] | |
| O=C1CCCCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1,LIN0927,"Ester,Double bond",14,13.4,MCD18444,MCD18444,O=C(C[*])CCCCC/C=C/CCOC(=O)[*] | |
| O=C1CCCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1,LIN0925,"Ester,Ring structure ",13,12.4,MCD18441,MCD18441,O=C(C[*])CCCC/C=C/CCOC(=O)[*] | |
| NC[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,LIN0017,Ether,7,8.1,MCD03486,MCD03486,NC[C@H](CC[*])OCC[*] | |
| CNC[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,LIN0024,Ether,7,5,MCD03459,MCD03459,CNC[C@H](CC[*])OCC[*] | |
| CN1CCN(C[C@@H]2CCn3cc(c4ccccc43)C3=C(C(=O)NC3=O)c3cn(c4ccccc34)CCO2)CC1,LIN0025,Ether,7,8.3,MCD03471,MCD03471,CN1CCN(C[C@H](CC[*])OCC[*])CC1 | |
| CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,LIN0034,Ether,7,7.1,MCD02360,MCD02360,CN(C)C[C@H](CC[*])OCC[*] | |
| CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)N=C2O)c2cn(c3ccccc23)CCO1,LIN0034,Ether,7,7.8,MCD18517,MCD18517,CN(C)C[C@H](CC[*])OCC[*] | |
| C[C@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2O1,LIN0043,Ether,6,6.4,MCD07234,MCD07234,C[C@@H](CCC[*])O[*] | |
| C[C@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21,LIN0044,Ether,6,7.1,MCD07230,MCD07230,C[C@H]([*])CCCO[*] | |
| C[C@@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21,LIN0044,Ether,6,7.1,MCD07231,MCD07231,C[C@H]([*])CCCO[*] | |
| C[C@H]1CCCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn21,LIN0044,Ether,6,7.1,MCD07237,MCD07237,C[C@H]([*])CCCO[*] | |
| C[C@H]1CCCOc2nn(C)cc2C(=O)Nc2cccc(n2)-c2nncn21,LIN0044,Ether,6,7,MCD08061,MCD08061,C[C@H]([*])CCCO[*] | |
| C[C@H]1CCCOc2ccccc2C(O)=Nc2cccc(n2)-c2nncn21,LIN0044,Ether,6,7,MCD18456,MCD18456,C[C@H]([*])CCCO[*] | |
| C[C@@H]1CCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2OC1,LIN0047,Ether,6,6.1,MCD07233,MCD07233,C[C@H](CC[*])CO[*] | |
| C[C@@H]1CCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn2C1,LIN0048,Ether,6,6,MCD07232,MCD07232,C[C@@H](C[*])CCO[*] | |
| C[C@@H]1CCOc2cc(F)c(-c3cnn(CCN(C)C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn2C1,LIN0048,Ether,6,7.3,MCD07246,MCD07246,C[C@@H](C[*])CCO[*] | |
| C[C@@H]1CCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn2C1,LIN0048,Ether,6,7.3,MCD07238,MCD07238,C[C@@H](C[*])CCO[*] | |
| Cc1cc2cc(n1)-c1cnn(C)c1OCCC[C@@H](C)CN1/C(=N/C2=O)Nc2ccc(CN3CCN(C)CC3)cc21,LIN0049,Ether,7,8.4,MCD07222,MCD07222,C[C@@H](C[*])CCCO[*] | |
| Cc1cc2cc(n1)-c1cnn(C)c1OCCC[C@@H](C)CN1/C(=N/C2=O)Nc2ccccc21,LIN0049,Ether,7,8.4,MCD07225,MCD07225,C[C@@H](C[*])CCCO[*] | |
| Clc1cnc2nc1NCc1cccc(c1)OCCOc1cccc(c1)N2,LIN0052,Ether,5,4.9,MCD06124,MCD06124,[*]OCCO[*] | |
| C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(Cl)cc24)-c2c(F)ccc(F)c2OCCOc2ccnc(C(C)C)c2-3)C[C@H]1C,LIN0052,Ether,5,4.9,MCD08375,MCD08375,[*]OCCO[*] | |
| N#Cc1ncc2nc1OCCCCOc1ccc(Cl)cc1NC(=O)N2,LIN0053,Ether,7,8.1,MCD03964,MCD03964,[*]OCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCOc1cc(OC(=O)N3CCC(N4CCCCC4)CC3)c(Cl)cc1NC(=O)N2,LIN0053,Ether,7,8.1,MCD04124,MCD04124,[*]OCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCOc1cc(OCCCN3CCOCC3)c(Cl)cc1NC(=O)N2,LIN0053,Ether,7,8.1,MCD04125,MCD04125,[*]OCCCCO[*] | |
| COCCCOc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCO2,LIN0053,Ether,7,8.1,MCD04126,MCD04126,[*]OCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCOc1cc(OCCCO)c(Cl)cc1NC(=O)N2,LIN0053,Ether,7,8.1,MCD04127,MCD04127,[*]OCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,LIN0053,Ether,7,8.1,MCD04128,MCD04128,[*]OCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCOc1cc(P(=O)(O)O)c(Cl)cc1NC(=O)N2,LIN0053,Ether,7,8.1,MCD04129,MCD04129,[*]OCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCOc1cc(O)c(Cl)cc1NC(=O)N2,LIN0053,Ether,7,8.1,MCD04130,MCD04130,[*]OCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCOc1cc(N3CCOC3=O)c(Cl)cc1NC(=O)N2,LIN0053,Ether,7,8.1,MCD04131,MCD04131,[*]OCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCOc1cc(NC(=O)OCCN3CCOCC3)c(Cl)cc1NC(=O)N2,LIN0053,Ether,7,8.1,MCD04132,MCD04132,[*]OCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCOc1cc(NC(=O)c3ccnc(Cl)c3)c(Cl)cc1NC(=O)N2,LIN0053,Ether,7,8.1,MCD04133,MCD04133,[*]OCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCOc1cc(NC(=O)c3ccncc3)c(Cl)cc1NC(=O)N2,LIN0053,Ether,7,8.1,MCD04134,MCD04134,[*]OCCCCO[*] | |
| CCNc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCO2,LIN0053,Ether,7,8.1,MCD04135,MCD04135,[*]OCCCCO[*] | |
| CCN(CC)c1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCO2,LIN0053,Ether,7,8.1,MCD04136,MCD04136,[*]OCCCCO[*] | |
| CNc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCO2,LIN0053,Ether,7,8.1,MCD04137,MCD04137,[*]OCCCCO[*] | |
| CN(C)c1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCO2,LIN0053,Ether,7,8.1,MCD04138,MCD04138,[*]OCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCOc1cc(N)c(Cl)cc1NC(=O)N2,LIN0053,Ether,7,8.1,MCD04139,MCD04139,[*]OCCCCO[*] | |
| O=c1[nH]c2nccc3c2n1-c1nc(ccc1Cl)OCCCCO3,LIN0053,Ether,7,8.1,MCD06861,MCD06861,[*]OCCCCO[*] | |
| CN(C)CCNC(=O)c1ccc2cc1OCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2,LIN0053,Ether,7,8.1,MCD01025,MCD01025,[*]OCCCCO[*] | |
| O=C(NCCN1CCOCC1)c1ccc2cc1OCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2,LIN0053,Ether,7,8.1,MCD01026,MCD01026,[*]OCCCCO[*] | |
| O=C(NCC1CCNCC1)c1ccc2cc1OCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2,LIN0053,Ether,7,8.1,MCD01027,MCD01027,[*]OCCCCO[*] | |
| O=C(NC1CCCNCC1)c1ccc2cc1OCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2,LIN0053,Ether,7,8.1,MCD01028,MCD01028,[*]OCCCCO[*] | |
| O=C(c1ccc2cc1OCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2)N1CCCNCC1,LIN0053,Ether,7,8.1,MCD01029,MCD01029,[*]OCCCCO[*] | |
| O=C(c1ccc2cc1OCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2)N1CCNCC1,LIN0053,Ether,7,8.1,MCD01030,MCD01030,[*]OCCCCO[*] | |
| O=C(NC1CCOCC1)c1ccc2cc1OCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2,LIN0053,Ether,7,8.1,MCD01031,MCD01031,[*]OCCCCO[*] | |
| O=C(c1ccc2cc1OCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2)N1CCC(N2CCOCC2)CC1,LIN0053,Ether,7,8.1,MCD01032,MCD01032,[*]OCCCCO[*] | |
| O=C(c1ccc2cc1OCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2)N1CCC(N2CCOCC2)C1,LIN0053,Ether,7,8.1,MCD01033,MCD01033,[*]OCCCCO[*] | |
| Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNCc1cccc(C(C)C)c1)NC2=O,LIN0053,Ether,7,8.1,MCD04551,MCD04551,[*]OCCCCO[*] | |
| COCc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)NC2=O,LIN0053,Ether,7,8.1,MCD04554,MCD04554,[*]OCCCCO[*] | |
| Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)NC2=O,LIN0053,Ether,7,8.1,MCD04555,MCD04555,[*]OCCCCO[*] | |
| Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNC(C)c1cccc(C(C)C)c1)NC2=O,LIN0053,Ether,7,8.1,MCD04557,MCD04557,[*]OCCCCO[*] | |
| CC(C)c1cccc(C2(NC[C@@H](O)[C@@H]3Cc4cccc(c4)OCCCCOc4cc(cc(N5CCCC5=O)c4)C(=O)N3)CC2)c1,LIN0053,Ether,7,8.1,MCD04561,MCD04561,[*]OCCCCO[*] | |
| COc1ccc2c(c1)C(=O)N[C@H](C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OCCCCO2,LIN0053,Ether,7,8.1,MCD06767,MCD06767,[*]OCCCCO[*] | |
| CC(C)(C)OC(=O)N1CC(c2ccc3c(c2)C(=O)N[C@H](C(=O)NC2(C#N)CC2)Cc2ccc(c(Cl)c2)OCCCCO3)C1,LIN0053,Ether,7,8.1,MCD06790,MCD06790,[*]OCCCCO[*] | |
| N#Cc1ccc2c(c1)C(=O)N[C@H](C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OCCCCO2,LIN0053,Ether,7,8.1,MCD06797,MCD06797,[*]OCCCCO[*] | |
| CSc1ccc2c(c1)C(=O)N[C@H](C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OCCCCO2,LIN0053,Ether,7,8.1,MCD06799,MCD06799,[*]OCCCCO[*] | |
| CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCCCO2,LIN0053,Ether,7,8.1,MCD08163,MCD08163,[*]OCCCCO[*] | |
| Nc1nc2cc(n1)-c1cc(c(Cl)cc1Cl)OCCCCOc1cccc(c1)S2,LIN0053,Ether,7,8.1,MCD08812,MCD08812,[*]OCCCCO[*] | |
| Cc1ccc2cc1-c1cc(nc(N)n1)Sc1cccc(c1)OCCCCO2,LIN0053,Ether,7,8.1,MCD08814,MCD08814,[*]OCCCCO[*] | |
| Cn1cc(-c2cc3ccc2OCCCCOc2cc(C(F)(F)F)ccc2C(=O)N[C@H](C(=O)NC2(C#N)CC2)C3)cn1,LIN0053,Ether,7,8.1,MCD12123,MCD12123,[*]OCCCCO[*] | |
| CC(=O)COc1cc2cc(c1)C(=O)NC(C(O)CNCc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCO2,LIN0053,Ether,7,8.1,MCD13025,MCD13025,[*]OCCCCO[*] | |
| COCc1cc2cc(c1)C(=O)NC(C(O)CNCc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCO2,LIN0053,Ether,7,8.1,MCD13034,MCD13034,[*]OCCCCO[*] | |
| Cc1ccc2cc1-c1cc(nc(=N)[nH]1)Sc1cccc(c1)OCCCCO2,LIN0053,Ether,7,8.1,MCD18461,MCD18461,[*]OCCCCO[*] | |
| CN(C)C(=O)c1cc2cc(c1)C(O)=N[C@H]([C@@H](O)CO)Cc1cccc(c1)OCCCCO2,LIN0053,Ether,7,8.1,MCD18490,MCD18490,[*]OCCCCO[*] | |
| COCc1cc2cc(c1)C(O)=N[C@H]([C@H](O)CNCc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCO2,LIN0053,Ether,7,8.1,MCD18613,MCD18613,[*]OCCCCO[*] | |
| CC(=O)COc1cc2cc(c1)C(O)=N[C@H]([C@H](O)CNCc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCO2,LIN0053,Ether,7,8.1,MCD18644,MCD18644,[*]OCCCCO[*] | |
| O=C1Nc2cncc(n2)OCCCCCOc2ccc(Cl)cc2N1,LIN0054,Ether,8,9.1,MCD03919,MCD03919,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(CC(O)CO)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03920,MCD03920,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03921,MCD03921,[*]OCCCCCO[*] | |
| CCN(CC)CC#Cc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03922,MCD03922,[*]OCCCCCO[*] | |
| CC(C)(O)C#Cc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03923,MCD03923,[*]OCCCCCO[*] | |
| CC(O)C#Cc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03924,MCD03924,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(C#CCO)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03925,MCD03925,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(N3CCCCC3)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03926,MCD03926,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(N(CCO)CCO)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03927,MCD03927,[*]OCCCCCO[*] | |
| CCN(CC)c1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03928,MCD03928,[*]OCCCCCO[*] | |
| CN(C)c1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03929,MCD03929,[*]OCCCCCO[*] | |
| CS(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03930,MCD03930,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(NC(=O)CCNC3CCCC3)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03931,MCD03931,[*]OCCCCCO[*] | |
| CN(C)CC(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03932,MCD03932,[*]OCCCCCO[*] | |
| Cn1cncc1CNc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03933,MCD03933,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(NCc3c[nH]cn3)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03937,MCD03937,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(NCc3ccccc3)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03938,MCD03938,[*]OCCCCCO[*] | |
| CC(C)CNc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03941,MCD03941,[*]OCCCCCO[*] | |
| CC(C)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03942,MCD03942,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(NCCO)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03943,MCD03943,[*]OCCCCCO[*] | |
| CCCCNc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03944,MCD03944,[*]OCCCCCO[*] | |
| CCNc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03945,MCD03945,[*]OCCCCCO[*] | |
| CNc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03946,MCD03946,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(N)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03947,MCD03947,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(OCCn3ccnc3)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03948,MCD03948,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(OCc3ccccn3)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03949,MCD03949,[*]OCCCCCO[*] | |
| CC(C)Oc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03952,MCD03952,[*]OCCCCCO[*] | |
| CCOc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03953,MCD03953,[*]OCCCCCO[*] | |
| CC(C)CCOc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03954,MCD03954,[*]OCCCCCO[*] | |
| CN(C)CCOc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03955,MCD03955,[*]OCCCCCO[*] | |
| COCCOCCOc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03956,MCD03956,[*]OCCCCCO[*] | |
| COCCOc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03957,MCD03957,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03958,MCD03958,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(O)c(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03962,MCD03962,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1ccc(Cl)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD03965,MCD03965,[*]OCCCCCO[*] | |
| CC(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD03966,MCD03966,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1ccc(OCCO)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD04042,MCD04042,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1ccc(CCCO)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD04043,MCD04043,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1ccc(CCO)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD04044,MCD04044,[*]OCCCCCO[*] | |
| Cc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD04045,MCD04045,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1ccccc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD04046,MCD04046,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1ccc(Br)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD04047,MCD04047,[*]OCCCCCO[*] | |
| CC(=O)Nc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD04048,MCD04048,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1ccc(OCCCCCN3CCOCC3)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD04049,MCD04049,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1ccc(OCCCCN3CCOCC3)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD04050,MCD04050,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1ccc(OCCCN3CCOCC3)cc1NC(=O)N2,LIN0054,Ether,8,9.1,MCD04051,MCD04051,[*]OCCCCCO[*] | |
| CCOc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD04052,MCD04052,[*]OCCCCCO[*] | |
| COc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD04053,MCD04053,[*]OCCCCCO[*] | |
| CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1,LIN0054,Ether,8,9.1,MCD00444,MCD00444,[*]OCCCCCO[*] | |
| O=C(NCCN1CCOCC1)c1ccc2cc1OCCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2,LIN0054,Ether,8,9.1,MCD01080,MCD01080,[*]OCCCCCO[*] | |
| CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD08164,MCD08164,[*]OCCCCCO[*] | |
| Cc1ccc2cc1-c1cc(nc(N)n1)Sc1cccc(c1)OCCCCCO2,LIN0054,Ether,8,9.1,MCD08813,MCD08813,[*]OCCCCCO[*] | |
| OC1=Nc2cc(Cl)ccc2OCCCCCOc2cncc(n2)N1,LIN0054,Ether,8,9.1,MCD18443,MCD18443,[*]OCCCCCO[*] | |
| N#Cc1ncc2nc1OCCCCCOc1cc(NCc3ccncc3)c(Cl)cc1N=C(O)N2,LIN0054,Ether,8,9.1,MCD18509,MCD18509,[*]OCCCCCO[*] | |
| COc1cc2ncnc3c2cc1OCCCCCCOc1ccccc1N3,LIN0056,Ether,9,10.3,MCD00045,MCD00045,[*]OCCCCCCO[*] | |
| COc1cc2ncnc3c2cc1OCCCCCCOc1c(Cl)cccc1N3,LIN0056,Ether,9,10.3,MCD00075,MCD00075,[*]OCCCCCCO[*] | |
| COc1cc2ncnc3c2cc1OCCCCCCOc1cc(F)c(Cl)cc1N3,LIN0056,Ether,9,10.3,MCD00085,MCD00085,[*]OCCCCCCO[*] | |
| CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(C)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1,LIN0056,Ether,9,10.3,MCD00463,MCD00463,[*]OCCCCCCO[*] | |
| CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(Cl)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1,LIN0056,Ether,9,10.3,MCD00464,MCD00464,[*]OCCCCCCO[*] | |
| CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(F)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1,LIN0056,Ether,9,10.3,MCD00465,MCD00465,[*]OCCCCCCO[*] | |
| CCc1cc(N2CCOCC2)c2cc1Nc1ncc(Cl)c(n1)-c1cn(S(=O)(=O)CC)c3cc(ccc13)OCCCCCCO2,LIN0056,Ether,9,10.3,MCD00475,MCD00475,[*]OCCCCCCO[*] | |
| CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(C3CC3)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1,LIN0056,Ether,9,10.3,MCD00480,MCD00480,[*]OCCCCCCO[*] | |
| CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(C3CCCC3)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1,LIN0056,Ether,9,10.3,MCD00487,MCD00487,[*]OCCCCCCO[*] | |
| O=C(NCCN1CCOCC1)c1ccc2cc1OCCCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2,LIN0056,Ether,9,10.3,MCD01117,MCD01117,[*]OCCCCCCO[*] | |
| CN1CCN(CCNC(=O)c2ccc3cc2OCCCCCCOc2cc(ccc2F)-c2nc(ncc2F)N3)CC1,LIN0056,Ether,9,10.3,MCD01119,MCD01119,[*]OCCCCCCO[*] | |
| CN1CCC(NC(=O)c2ccc3cc2OCCCCCCOc2cc(ccc2F)-c2nc(ncc2F)N3)CC1,LIN0056,Ether,9,10.3,MCD01120,MCD01120,[*]OCCCCCCO[*] | |
| O=C(NC1CCC(N2CCOCC2)CC1)c1ccc2cc1OCCCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2,LIN0056,Ether,9,10.3,MCD01121,MCD01121,[*]OCCCCCCO[*] | |
| O=C(NC1CCN(C2CCOCC2)CC1)c1ccc2cc1OCCCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2,LIN0056,Ether,9,10.3,MCD01122,MCD01122,[*]OCCCCCCO[*] | |
| Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCCCCCCO2,LIN0056,Ether,9,10.3,MCD06531,MCD06531,[*]OCCCCCCO[*] | |
| CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1,LIN0056,Ether,9,10.3,MCD13204,MCD13204,[*]OCCCCCCO[*] | |
| COc1cc2cc(OC)c1OCCCCCCOc1ccc(cc1)[C@H](O)[C@H]2O,LIN0056,Ether,9,10.3,MCD15484,MCD15484,[*]OCCCCCCO[*] | |
| COc1cc2cc(OC)c1OCCCCCCOc1ccc(cc1)/C=C\2,LIN0056,Ether,9,10.3,MCD15490,MCD15490,[*]OCCCCCCO[*] | |
| COc1cc2cc(OC)c1OCCCCCCOc1ccc(cc1O)/C=C\2,LIN0056,Ether,9,10.3,MCD15497,MCD15497,[*]OCCCCCCO[*] | |
| Cn1ncc2c1OCCCCCN1/C(=N/C(=O)c3cc(F)nc-2c3)Nc2ccccc21,LIN0057,Ether,7,7.8,MCD07223,MCD07223,[*]CCCCCO[*] | |
| Cc1cc2cc(n1)-c1cnn(C)c1OCCCCCN1/C(=N/C2=O)Nc2ccccc21,LIN0057,Ether,7,7.8,MCD07224,MCD07224,[*]CCCCCO[*] | |
| O=c1c2cccc3c2sn1CCCCCCOc1cccc2nc(O)c-3nc12,LIN0057,Ether,7,7.3,MCD03881,MCD03881,[*]CCCCCO[*] | |
| O=c1c2cccc3c2sn1CCCCCOc1cccc2nc(O)c-3nc12,LIN0057,Ether,7,7.3,MCD03882,MCD03882,[*]CCCCCO[*] | |
| O=C1/N=C2\Nc3ccccc3N2CCCCCOc2ccccc2-c2cc1ccn2,LIN0057,Ether,7,7.3,MCD07226,MCD07226,[*]CCCCCO[*] | |
| O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccccc21,LIN0057,Ether,7,7.3,MCD07229,MCD07229,[*]CCCCCO[*] | |
| O=C1Nc2nc3ccccc3n2CCCCCOc2ccccc2-c2cc1ccn2,LIN0057,Ether,7,7.3,MCD13083,MCD13083,[*]CCCCCO[*] | |
| OC1=Nc2nc3ccccc3n2CCCCCOc2ccccc2-c2cc1ccn2,LIN0057,Ether,7,7.3,MCD18474,MCD18474,[*]CCCCCO[*] | |
| CCS(=O)(=O)c1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(F)cc(F)c1O2,LIN0058,Ether,6,8.1,MCD06937,MCD06937,[*]CCCCO[*] | |
| CCS(=O)(=O)c1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(Cl)ccc1O2,LIN0058,Ether,6,8.1,MCD06938,MCD06938,[*]CCCCO[*] | |
| O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccccc21,LIN0058,Ether,6,8.1,MCD07228,MCD07228,[*]CCCCO[*] | |
| O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCOCC3)cc21,LIN0058,Ether,6,8.1,MCD07240,MCD07240,[*]CCCCO[*] | |
| O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC4(COC4)C3)cc21,LIN0058,Ether,6,8.1,MCD07241,MCD07241,[*]CCCCO[*] | |
| CS(=O)(=O)c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,LIN0058,Ether,6,8.1,MCD07242,MCD07242,[*]CCCCO[*] | |
| Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,LIN0058,Ether,6,8.1,MCD07243,MCD07243,[*]CCCCO[*] | |
| Cn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,LIN0058,Ether,6,8.1,MCD07244,MCD07244,[*]CCCCO[*] | |
| CN(C)CCn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,LIN0058,Ether,6,8.1,MCD07245,MCD07245,[*]CCCCO[*] | |
| CCS(=O)(=O)c1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1ccccc1O2,LIN0058,Ether,6,8.1,MCD12143,MCD12143,[*]CCCCO[*] | |
| CCS(=O)(=O)c1cnc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(Cl)ccc1O2,LIN0058,Ether,6,8.1,MCD12147,MCD12147,[*]CCCCO[*] | |
| CCS(=O)(=O)Nc1cnc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(Cl)ccc1O2,LIN0058,Ether,6,8.1,MCD12148,MCD12148,[*]CCCCO[*] | |
| CCS(=O)(=O)Nc1cnc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(F)cc(F)c1O2,LIN0058,Ether,6,8.1,MCD12149,MCD12149,[*]CCCCO[*] | |
| Cn1cc2c(cc1=O)OCCCCc1cc(Cl)ccc1Oc1ncc(CS(C)(=O)=O)cc1-2,LIN0058,Ether,6,8.1,MCD12150,MCD12150,[*]CCCCO[*] | |
| Cn1cc2c(cc1=O)OCCCCc1cc(Cl)ccc1Oc1ccc(CS(C)(=O)=O)cc1-2,LIN0058,Ether,6,8.1,MCD12151,MCD12151,[*]CCCCO[*] | |
| C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2OCCCCc2ccnc(C(C)C)c2-3)[C@@H](C)C1,LIN0058,Ether,6,8.1,MCD08372,MCD08372,[*]CCCCO[*] | |
| C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2OCCCCc2ccnc(C(C)C)c2-3)C[C@H]1C,LIN0058,Ether,6,8.1,MCD08373,MCD08373,[*]CCCCO[*] | |
| CCS(O)(O)Nc1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(F)cc(F)c1O2,LIN0058,Ether,6,8.1,MCD13054,MCD13054,[*]CCCCO[*] | |
| Cc1ncn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)c1C,LIN0058,Ether,6,8.1,MCD16544,MCD16544,[*]CCCCO[*] | |
| O=c1c2cccc3c2sn1CCCCOc1cccc2nc(O)c-3nc12,LIN0058,Ether,6,6.3,MCD03883,MCD03883,[*]CCCCO[*] | |
| Cn1ncc2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1OCCCC2,LIN0058,Ether,6,6.3,MCD05605,MCD05605,[*]CCCCO[*] | |
| CCS(=O)(=O)c1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(F)ccc1O2,LIN0058,Ether,6,6.3,MCD06232,MCD06232,[*]CCCCO[*] | |
| Clc1cnc2nc1NCCc1cccc(c1)OCCCc1cccc(c1)N2,LIN0059,Ether,5,5.6,MCD06121,MCD06121,[*]CCCO[*] | |
| C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2OCCCc2ccnc(C(C)C)c2-3)[C@@H](C)C1,LIN0059,Ether,5,5.6,MCD08374,MCD08374,[*]CCCO[*] | |
| Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13,LIN0059,Ether,5,5.6,MCD12357,MCD12357,[*]CCCO[*] | |
| COCCOCc1nn(C)c2c1CSCc1cc(n(C)n1)CCc1cc(c3ccc(F)cc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13,LIN0059,Ether,5,5.6,MCD13291,MCD13291,[*]CCCO[*] | |
| N#Cc1[nH]nc2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1OCCC2,LIN0059,Ether,5,6.3,MCD05603,MCD05603,[*]CCCO[*] | |
| Cn1ncc2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1OCCC2,LIN0059,Ether,5,6.3,MCD05604,MCD05604,[*]CCCO[*] | |
| C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CCCOc2ccc(F)cc21,LIN0059,Ether,5,6.3,MCD05607,MCD05607,[*]CCCO[*] | |
| O=C1Nc2cccc(n2)-c2nncn2CCCOc2ccccc21,LIN0059,Ether,5,6.3,MCD07227,MCD07227,[*]CCCO[*] | |
| Clc1cnc2nc1NCCCc1cccc(c1)OCCc1cccc(c1)N2,LIN0060,Ether,4,4.9,MCD06127,MCD06127,[*]CCO[*] | |
| Clc1cnc2nc1NCc1cccc(c1)OCCc1cccc(c1)N2,LIN0060,Ether,4,4.9,MCD06132,MCD06132,[*]CCO[*] | |
| N#Cc1[nH]nc2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1OCC2,LIN0060,Ether,4,4.9,MCD05602,MCD05602,[*]CCO[*] | |
| C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CCOc2ccc(F)cc21,LIN0060,Ether,4,4.9,MCD05606,MCD05606,[*]CCO[*] | |
| O=C1Nc2cncc(n2)OCC(O)C(O)COc2ccc(Cl)cc2N1,LIN0075,Ether,7,8.4,MCD10423,MCD10423,OC(CO[*])C(O)CO[*] | |
| N#Cc1ncc2nc1OCC(O)C(O)COc1ccc(Cl)cc1NC(=O)N2,LIN0075,Ether,7,8.1,MCD14510,MCD14510,OC(CO[*])C(O)CO[*] | |
| Clc1cnc2nc1NCc1cccc(c1)OCc1cccc(c1)N2,LIN0076,Ether,3,4.4,MCD06136,MCD06136,[*]CO[*] | |
| N#C[C@]1(C2CC2)C(=O)N2C[C@H]1COCCCCOCc1cccc(n1)Nc1cc2ccn1,LIN0094,Ether,9,8.9,MCD08112,MCD08112,[*]COCCCCOC[*] | |
| O=C(NCCN1CCOCC1)c1ccc2cc1COCCCCOCc1cc(ccc1F)-c1nc(ncc1F)N2,LIN0094,Ether,9,8.9,MCD01118,MCD01118,[*]COCCCCOC[*] | |
| O=C1NC(=O)C2=C1c1cn(c3ncccc13)CCOCCOCCn1cc2c2cccnc21,LIN0103,Ether,18,15,MCD03150,MCD03150,[*]CCOCCOCCOCCOCCOCC[*] | |
| CN1C(=O)C2=C(C1=O)c1cn(c3ncccc13)CCOCCOCCn1cc2c2ccccc21,LIN0105,Ether,9,8.8,MCD14511,MCD14511,[*]CCOCCOCC[*] | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](CN1CCOCC1)CCn1cc2c2ccccc21,LIN0107,Ether,7,5.5,MCD03472,MCD03472,[*]CCO[C@@H](CC[*])CN1CCOCC1 | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](CO)CCn1cc2c2ccccc21,LIN0108,Ether,7,5.9,MCD03139,MCD03139,OC[C@H](CC[*])OCC[*] | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](CNS(=O)(=O)c1ccccc1)CCn1cc2c2ccccc21,LIN0109,Ether,7,6.3,MCD03477,MCD03477,O=S(=O)(NC[C@H](CC[*])OCC[*])c1ccccc1 | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](CNCc1ccccc1)CCn1cc2c2ccccc21,LIN0110,Ether,7,6.2,MCD03473,MCD03473,[*]CCO[C@@H](CC[*])CNCc1ccccc1 | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCOC(CO)CCn1cc2c2ccccc21,LIN0112,Ether,8,8.5,MCD03146,MCD03146,OCC(CC[*])OCCC[*] | |
| COc1cc2cc(OC)c1OCCCCCCn1ccc3cc(ccc31)[C@H](O)[C@H]2O,LIN0114,Ether,8,8.7,MCD15488,MCD15488,[*]CCCCCCO[*] | |
| COc1cc2cc(OC)c1OCCCCCCn1ccc3cc(ccc31)[C@@H](O)[C@H]2O,LIN0114,Ether,8,8.7,MCD15495,MCD15495,[*]CCCCCCO[*] | |
| COc1cc2cc(OC)c1OCCCCCCn1ccc3cc(ccc31)/C=C\2,LIN0114,Ether,8,8.7,MCD15500,MCD15500,[*]CCCCCCO[*] | |
| COc1cc2ncnc3c2cc1OCCOCCOc1cccc(c1)N3,LIN0162,Ether,8,8.2,MCD00033,MCD00033,[*]OCCOCCO[*] | |
| COc1cc2ncnc3c2cc1OCCOCCOc1ccccc1N3,LIN0162,Ether,8,8.2,MCD00034,MCD00034,[*]OCCOCCO[*] | |
| Fc1cc2c(cc1Cl)Nc1ncnc3ccc(cc13)OCCOCCO2,LIN0162,Ether,8,8.2,MCD00037,MCD00037,[*]OCCOCCO[*] | |
| COc1cc2ncnc3c2cc1OCCOCCOc1cc(Cl)cc(c1)N3,LIN0162,Ether,8,8.2,MCD00040,MCD00040,[*]OCCOCCO[*] | |
| O=C(NCCN1CCOCC1)c1ccc2cc1OCCOCCOc1cc(ccc1F)-c1nc(ncc1F)N2,LIN0162,Ether,8,8.2,MCD01081,MCD01081,[*]OCCOCCO[*] | |
| CC(=O)Nc1ccc2c(c1)OCCOCCOc1cc(NC(C)=O)ccc1OCCOCCO2,LIN0162,Ether,8,8.2,MCD04105,MCD04105,[*]OCCOCCO[*] | |
| CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCOCCO2,LIN0162,Ether,8,8.2,MCD06235,MCD06235,[*]OCCOCCO[*] | |
| CC(C)(C)C(=O)Nc1ccc2c(c1)OCCOCCOc1cc(NC(=O)C(C)(C)C)ccc1OCCOCCO2,LIN0162,Ether,8,8.2,MCD14047,MCD14047,[*]OCCOCCO[*] | |
| C/C(=N/O)c1ccc2c(c1)OCCOCCOc1cc(/C(C)=N/O)ccc1OCCOCCO2,LIN0162,Ether,8,8.2,MCD14080,MCD14080,[*]OCCOCCO[*] | |
| CC(=O)Nc1ccc2c(c1)OCCOCCOc1cc(NC(C)=O)ccc1OCCO2,LIN0162,Ether,8,8.2,MCD14108,MCD14108,[*]OCCOCCO[*] | |
| c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2,LIN0162,Ether,8,8.2,MCD14157,MCD14157,[*]OCCOCCO[*] | |
| CC(=O)c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2,LIN0162,Ether,8,8.2,MCD14315,MCD14315,[*]OCCOCCO[*] | |
| COc1cc2ncnc3c2cc1OCCOCCOc1cccc(Cl)c1N3,LIN0162,Ether,8,8.2,MCD14673,MCD14673,[*]OCCOCCO[*] | |
| COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1O)[C@H](O)[C@H]2O,LIN0162,Ether,8,8.2,MCD15492,MCD15492,[*]OCCOCCO[*] | |
| COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1)/C=C\2,LIN0162,Ether,8,8.2,MCD15496,MCD15496,[*]OCCOCCO[*] | |
| COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1)[C@H](O)[C@H]2O,LIN0162,Ether,8,8.2,MCD15501,MCD15501,[*]OCCOCCO[*] | |
| CNc1nc2nc3c1nc(O)n3Cc1cccc(c1)OCCOCCO2,LIN0162,Ether,8,8.2,MCD18455,MCD18455,[*]OCCOCCO[*] | |
| COc1cc2ncnc3c2cc1OCCOCCOCCOc1ccccc1N3,LIN0175,Ether,11,11.9,MCD00084,MCD00084,[*]OCCOCCOCCO[*] | |
| COc1cc2ncnc3c2cc1OCCOCCOCCOc1c(Cl)cccc1N3,LIN0175,Ether,11,11.9,MCD00107,MCD00107,[*]OCCOCCOCCO[*] | |
| Brc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1,LIN0175,Ether,11,11.9,MCD05199,MCD05199,[*]OCCOCCOCCO[*] | |
| Clc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1,LIN0175,Ether,11,11.9,MCD05201,MCD05201,[*]OCCOCCOCCO[*] | |
| Fc1ccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)cc1Cl,LIN0175,Ether,11,11.9,MCD05202,MCD05202,[*]OCCOCCOCCO[*] | |
| C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1,LIN0175,Ether,11,11.9,MCD05203,MCD05203,[*]OCCOCCOCCO[*] | |
| O=c1c(-c2ccc(F)cc2)c[nH]c2ccnc(Nc3ccc(Oc4ncnc5cc6c(cc45)OCCOCCOCCO6)c(F)c3)c12,LIN0175,Ether,11,11.9,MCD08267,MCD08267,[*]OCCOCCOCCO[*] | |
| COc1cc2ncnc3c2cc1OCCOCCOCCOc1cc(F)c(Cl)cc1N3,LIN0175,Ether,11,11.9,MCD13193,MCD13193,[*]OCCOCCOCCO[*] | |
| COc1cc2ncnc3c2cc1OCCOCCOCCOc1ccc(Cl)cc1N3,LIN0175,Ether,11,11.9,MCD13194,MCD13194,[*]OCCOCCOCCO[*] | |
| Nc1cc2c(cc1[N+](=O)[O-])OCCOCCOCCO2,LIN0175,Ether,11,11.9,MCD14071,MCD14071,[*]OCCOCCOCCO[*] | |
| c1ccc2c(c1)OCCOCCOCCO2,LIN0175,Ether,11,11.9,MCD14284,MCD14284,[*]OCCOCCOCCO[*] | |
| Brc1ccc(/C=N\c2ccc3c(c2)OCCOCCOCCO3)s1,LIN0175,Ether,11,11.9,MCD14301,MCD14301,[*]OCCOCCOCCO[*] | |
| CC(=O)c1ccc2c(c1)OCCOCCOCCO2,LIN0175,Ether,11,11.9,MCD14355,MCD14355,[*]OCCOCCOCCO[*] | |
| C=C(C)C(=O)Nc1ccc2c(c1)OCCOCCOCCO2,LIN0175,Ether,11,11.9,MCD14371,MCD14371,[*]OCCOCCOCCO[*] | |
| O=C(c1ccccc1)c1ccc2c(c1)OCCOCCOCCO2,LIN0175,Ether,11,11.9,MCD14509,MCD14509,[*]OCCOCCOCCO[*] | |
| Brc1cc2c(cc1Br)OCCOCCOCCO2,LIN0175,Ether,11,11.9,MCD17311,MCD17311,[*]OCCOCCOCCO[*] | |
| Nc1cc(C(F)(F)F)c2nc1-c1nnc(o1)C(O)(C(F)(F)F)CCCCCCO2,LIN0181,Ether,9,8.2,MCD00094,MCD00094,OC([*])(CCCCCCO[*])C(F)(F)F | |
| C[C@H]1CCCCC[C@](O)(C(F)(F)F)c2nnc(o2)-c2nc(c(C(F)(F)F)cc2N)O1,LIN0183,Ether,9,10.6,MCD00096,MCD00096,C[C@@H](CCCCC[C@@](O)([*])C(F)(F)F)O[*] | |
| Nc1cc(C(F)(F)F)c2nc1-c1nnc(o1)[C@@](O)(C(F)(F)F)CCCCC[C@H](CO)O2,LIN0190,Ether,9,9.6,MCD00115,MCD00115,OC[C@@H](CCCCC[C@@](O)([*])C(F)(F)F)O[*] | |
| CC1(C)CCCC[C@](O)(C(F)(F)F)c2nnc(o2)-c2nc(c(C(F)(F)F)cc2N)OC1,LIN0191,Ether,9,7.6,MCD00116,MCD00116,CC(C)(CCCC[C@@](O)([*])C(F)(F)F)CO[*] | |
| CC1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21,LIN0284,Ether,6,8,MCD00353,MCD00353,CC([*])CCCO[*] | |
| CC1Oc2nc(cnc2N)-c2c(nc3ccc(C#N)cn23)CN(C)C(=O)c2ccc(F)cc21,LIN0287,Ether,3,4.2,MCD00363,MCD00363,CC([*])O[*] | |
| CC1Oc2cc(cnc2N)-c2c(C3CC3)nn(C)c2CN(C)C(=O)c2ccc(F)cc21,LIN0287,Ether,3,4.2,MCD00364,MCD00364,CC([*])O[*] | |
| Cc1nn(C)c2c1-c1cnc(N)c(c1)OC(C)c1cc(F)ccc1C(=O)N(C)C2,LIN0287,Ether,3,4.2,MCD00365,MCD00365,CC([*])O[*] | |
| CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1,LIN0297,Ether,10,11.7,MCD00462,MCD00462,[*]OCCCCCCCO[*] | |
| CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1,LIN0302,Ether,11,11.1,MCD00474,MCD00474,[*]OCCCCCCCCO[*] | |
| CC(C)c1cnn2c3nc(nc12)NCC1(CCCCCOc2ccccc2CN3)CCNCC1,LIN0333,Ether,10,10.2,MCD00956,MCD00956,[*]NCC1(CCCCCO[*])CCNCC1 | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CC[C@@H](C1COC3(CCCCC3)O1)OCCn1cc2c2c(F)cccc21,LIN0376,Ether,7,7.6,MCD03896,MCD03896,[*]CCO[C@@H](CC[*])C1COC2(CCCCC2)O1 | |
| CCCN(c1cc2cc(c1)C(=O)N[C@@H](C1CC1)CCc1cccc(c1)C[C@@](C)(N)COC2)S(C)(=O)=O,LIN0382,Ether,6,7.4,MCD04093,MCD04093,C[C@@](N)(C[*])COC[*] | |
| CCCN(c1cc2cc(c1)C(=O)N[C@@H](C(C)C)CCc1cccc(c1)C[C@@](C)(N)COC2)S(C)(=O)=O,LIN0382,Ether,6,7.4,MCD04095,MCD04095,C[C@@](N)(C[*])COC[*] | |
| CCCN(c1cc2cc(c1)C(=O)N[C@@H](CC)CCc1cccc(c1)C[C@@](C)(N)COC2)S(C)(=O)=O,LIN0382,Ether,6,7.4,MCD04096,MCD04096,C[C@@](N)(C[*])COC[*] | |
| CCCN(c1cc2cc(c1)C(=O)N[C@@H](C)CCc1cccc(c1)C[C@@](C)(N)COC2)S(C)(=O)=O,LIN0382,Ether,6,7.4,MCD04097,MCD04097,C[C@@](N)(C[*])COC[*] | |
| CC(C)S(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)COC2,LIN0382,Ether,6,7.4,MCD04099,MCD04099,C[C@@](N)(C[*])COC[*] | |
| CCS(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)COC2,LIN0382,Ether,6,7.4,MCD04100,MCD04100,C[C@@](N)(C[*])COC[*] | |
| Brc1cccc(Nc2ncnc3cc4c(cc23)OCCOCOCOCCO4)c1,LIN0462,Ether,12,12.9,MCD05200,MCD05200,[*]OCCOCOCOCCO[*] | |
| c1ccc2c(c1)c1cc[n+]2CCOCC[n+]2ccc(c3ccccc32)NCCSCCN1,LIN0474,Ether,6,7.2,MCD05420,MCD05420,[*]CCOCC[*] | |
| FC(F)(F)c1ccc(COc2ccc(Nc3ncnc4cc5c(cc34)OCCOCCOCCOCCO5)cc2)cc1,LIN0498,Ether,14,14.7,MCD07214,MCD07214,[*]OCCOCCOCCOCCO[*] | |
| N#Cc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCO3)nc1C#N,LIN0498,Ether,14,14.7,MCD14086,MCD14086,[*]OCCOCCOCCOCCO[*] | |
| O=C(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2,LIN0498,Ether,14,14.7,MCD14087,MCD14087,[*]OCCOCCOCCOCCO[*] | |
| CC(C)C(C(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2)N1C(=O)c2ccccc2C1=O,LIN0498,Ether,14,14.7,MCD14156,MCD14156,[*]OCCOCCOCCOCCO[*] | |
| O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])OCCOCCOCCOCCO2,LIN0498,Ether,14,14.7,MCD14188,MCD14188,[*]OCCOCCOCCOCCO[*] | |
| Brc1csc(/C=N\c2ccc3c(c2)OCCOCCOCCOCCO3)c1,LIN0498,Ether,14,14.7,MCD14237,MCD14237,[*]OCCOCCOCCOCCO[*] | |
| CC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2,LIN0498,Ether,14,14.7,MCD17417,MCD17417,[*]OCCOCCOCCOCCO[*] | |
| O=Cc1ccc2c(c1)OCCOCCOCCOCCO2,LIN0498,Ether,14,14.7,MCD17843,MCD17843,[*]OCCOCCOCCOCCO[*] | |
| C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(Cl)cc24)-c2c(F)cccc2OCC(F)(F)COc2ccnc(C(C)C)c2-3)C[C@H]1C,LIN0553,Ether,6,5.7,MCD08377,MCD08377,FC(F)(CO[*])CO[*] | |
| C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(ccc(F)c2F)OCCC(C)c2ccnc(C(C)C)c2-3)C[C@H]1C,LIN0554,Ether,5,6.3,MCD08381,MCD08381,CC([*])CCO[*] | |
| C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(Cl)cc24)-c2c(F)cccc2OCC(F)(F)CCc2ccnc(C(C)C)c2-3)[C@@H](C)C1,LIN0555,Ether,6,6.9,MCD08382,MCD08382,FC(F)(CC[*])CO[*] | |
| Cc1ccc2cc1-c1cc(nc(N)n1)Sc1cccc(c1)OCCCO2,LIN0571,Ether,6,7.8,MCD08815,MCD08815,[*]OCCCO[*] | |
| COC(=O)Nc1ccc2c(c1)OCCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0608,Ether,8,7.8,MCD11550,MCD11550,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCO[*] | |
| COC(=O)Nc1ccc2c(c1)OCCCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,LIN0741,Ether,9,5,MCD12004,MCD12004,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])CCCCCCO[*] | |
| CS(=O)(=O)c1ccc2c(c1)C(=O)N[C@H](C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OC[C@H]1O[C@@H]1CO2,LIN0747,Ether,7,6.6,MCD12131,MCD12131,[*]OC[C@H]1O[C@@H]1CO[*] | |
| Cc1ccc2cc1C(C)N1Cc3cc(ccc3OS1(=O)=O)OCCOCCn1nnc3c(C)c(ccc31)C2CC(=O)O,LIN0833,Ether,7,8.1,MCD13241,MCD13241,[*]CCOCCO[*] | |
| Cc1ccc2cc1[C@@H](C)N1Cc3cc(ccc3OS1(=O)=O)OCCOCCn1nnc3c(C)c(ccc31)[C@H]2CC(=O)O,LIN0833,Ether,7,8.1,MCD18648,MCD18648,[*]CCOCCO[*] | |
| CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,LIN0839,Ether,7,7.3,MCD13385,MCD13385,CN(C)CC(CC[*])OCC[*] | |
| CN(C)CC1CCn2cc(c3ccccc32)C2C(=O)NC(=O)C2c2cn(c3ccccc23)CCO1,LIN0839,Ether,7,7.3,MCD17845,MCD17845,CN(C)CC(CC[*])OCC[*] | |
| N#Cc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)nc1C#N,LIN0869,Ether,17,12.4,MCD14078,MCD14078,[*]OCCOCCOCCOCCOCCO[*] | |
| Nc1ccc2c(c1)OCCOCCOCCOCCOCCO2,LIN0869,Ether,17,12.4,MCD14083,MCD14083,[*]OCCOCCOCCOCCOCCO[*] | |
| O=C(O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2,LIN0869,Ether,17,12.4,MCD15949,MCD15949,[*]OCCOCCOCCOCCOCCO[*] | |
| CN1C(=O)C2=C(C1=O)c1cn(c3ccccc13)CCOCCOCCOCCn1cc2c2ccccc21,LIN0872,Ether,12,11.3,MCD14512,MCD14512,[*]CCOCCOCCOCC[*] | |
| CCN1C2=C(CC3=NN(N=C3C4=C(C=C(C=C4)F)[C@H](OC5=C(N=CC2=C5)N)C)C)C=N1,LIN0922,Ether,3,4.2,MCD18429,MCD18429,C[C@H]([*])O[*] | |
| CCN(N=C1Cl)C2=C1CC3=CN(C)N=C3C4=CC=C(F)C=C4[C@@H](C)OC5=C(N)N=CC2=C5,LIN0922,Ether,3,4.2,MCD18430,MCD18430,C[C@H]([*])O[*] | |
| N#C[C@]1(C2CC2)C(=O)N2C[C@H]1COCC(=O)NCc1cccc(n1)Nc1cc2ccn1,LIN0013,"Ether,Amide",7,6.8,MCD08111,MCD08111,O=C(COC[*])NC[*] | |
| C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1,LIN0042,"Ether,Amide",6,6.3,MCD07284,MCD07284,C[C@@H](CNC(=O)[*])O[*] | |
| C[C@H]1CNC(=O)c2cnn3cc(cnc23)N[C@H](C)c2cc(F)cc(c2)O1,LIN0042,"Ether,Amide",6,7,MCD00032,MCD00032,C[C@@H](CNC(=O)[*])O[*] | |
| C[C@@H]1COc2cn3ncc4c3nc2N1Cc1ccccc1O[C@@H](C)CNC4=O,LIN0042,"Ether,Amide",6,7,MCD00063,MCD00063,C[C@@H](CNC(=O)[*])O[*] | |
| C[C@@H]1COc2cn3ncc4c3nc2N1Cc1ccc(Cl)cc1O[C@@H](C)CNC4=O,LIN0042,"Ether,Amide",6,7,MCD00088,MCD00088,C[C@@H](CNC(=O)[*])O[*] | |
| C[C@@H]1COc2cn3ncc4c3nc2N1Cc1ccc(F)cc1O[C@@H](C)CNC4=O,LIN0042,"Ether,Amide",6,7,MCD00089,MCD00089,C[C@@H](CNC(=O)[*])O[*] | |
| C[C@H]1CNC(=O)C2=C3N=C4C(=CN3N=C2)O[C@H]5CCC[C@H]5N4CC6=C(O1)N=CC(=C6)F,LIN0042,"Ether,Amide",6,7,MCD18428,MCD18428,C[C@@H](CNC(=O)[*])O[*] | |
| CC(C)N1Cc2cc(cc(F)c2Cl)O[C@@H](C)CNC(=O)c2cnn3cc1cnc23,LIN0042,"Ether,Amide",6,7,MCD07333,MCD07333,C[C@@H](CNC(=O)[*])O[*] | |
| CCN1CC2=C(C=CC(=C2C#N)F)O[C@H](CNC(=O)C3=C4N=C1C=CN4N=C3N)C,LIN0042,"Ether,Amide",6,7,MCD18427,MCD18427,C[C@@H](CNC(=O)[*])O[*] | |
| CN1CCC(N(C)C(=O)c2cccc(Nc3nc4nc5c(cnn35)CCCCC(=O)Nc3cccc(c3)N4)c2)CC1,LIN0089,"Ether,Amide",7,9.5,MCD10361,MCD10361,O=C(CCCC[*])N[*] | |
| CCN(CC)CCN(C)C(=O)c1cccc(Nc2nc3nc4c(cnn24)CCCCC(=O)Nc2cccc(c2)N3)c1,LIN0089,"Ether,Amide",7,9.5,MCD10362,MCD10362,O=C(CCCC[*])N[*] | |
| O=C1CCCCc2cnn3c(Nc4cccc(C(=O)N5CCNCC5)c4)nc(nc23)Nc2cccc(c2)N1,LIN0089,"Ether,Amide",7,9.5,MCD10363,MCD10363,O=C(CCCC[*])N[*] | |
| CCN(CC)C1CN(C(=O)c2cccc(Nc3nc4nc5c(cnn35)CCCCC(=O)Nc3cccc(c3)N4)c2)C1,LIN0089,"Ether,Amide",7,9.5,MCD10364,MCD10364,O=C(CCCC[*])N[*] | |
| CN1CCC(N(C)C(=O)c2cccc(Nc3nc4nc5c(cnn35)CCCCC(=O)Nc3cccc(c3)N4)c2)C1,LIN0089,"Ether,Amide",7,9.5,MCD10366,MCD10366,O=C(CCCC[*])N[*] | |
| CN(C)CCN(C)C(=O)c1cccc(Nc2nc3nc4c(cnn24)CCCCC(=O)Nc2cccc(c2)N3)c1,LIN0089,"Ether,Amide",7,9.5,MCD10367,MCD10367,O=C(CCCC[*])N[*] | |
| O=C1CCCCc2cnn3c(Nc4cccc(C(=O)N5CC(O)C5)c4)nc(nc23)Nc2cccc(c2)N1,LIN0089,"Ether,Amide",7,9.5,MCD10369,MCD10369,O=C(CCCC[*])N[*] | |
| CN(C)CCNC(=O)c1cccc(Nc2nc3nc4c(cnn24)CCCCC(=O)Nc2cccc(c2)N3)c1,LIN0089,"Ether,Amide",7,9.5,MCD10370,MCD10370,O=C(CCCC[*])N[*] | |
| CN(C)C1CCN(C(=O)c2cccc(Nc3nc4nc5c(cnn35)CCCCC(=O)Nc3cccc(c3)N4)c2)C1,LIN0089,"Ether,Amide",7,9.5,MCD10371,MCD10371,O=C(CCCC[*])N[*] | |
| O=C1CCCCc2cnn3c(NC4CC4)nc(nc23)Nc2cccc(c2)N1,LIN0089,"Ether,Amide",7,9.5,MCD10373,MCD10373,O=C(CCCC[*])N[*] | |
| CN1Cc2ccc(F)cc2OCCNC(=O)c2cnn3cc(F)c1nc23,LIN0161,"Ether,Amide",6,7.5,MCD00031,MCD00031,O=C([*])NCCO[*] | |
| O=C1NCCOc2cc(F)ccc2CN2CCOc3cn4ncc1c4nc32,LIN0161,"Ether,Amide",6,7.5,MCD00060,MCD00060,O=C([*])NCCO[*] | |
| O=C1NCCOc2cc(F)ccc2CN2CCCOC3=Cn4ncc1c4NC32,LIN0161,"Ether,Amide",6,7.5,MCD00066,MCD00066,O=C([*])NCCO[*] | |
| C[C@@H]1CN2Cc3ccc(F)cc3OCCNC(=O)c3cnn4cc(c2nc34)O1,LIN0161,"Ether,Amide",6,7.5,MCD00067,MCD00067,O=C([*])NCCO[*] | |
| C[C@H]1CN2Cc3ccc(F)cc3OCCNC(=O)c3cnn4cc(c2nc34)O1,LIN0161,"Ether,Amide",6,7.5,MCD00068,MCD00068,O=C([*])NCCO[*] | |
| CC[C@H](NCC1Cc2cccc(c2)OCCNC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(=O)NCC(C)C,LIN0161,"Ether,Amide",6,7.5,MCD03885,MCD03885,O=C([*])NCCO[*] | |
| C[C@H]1COc2cn3ncc4c3nc2N1Cc1ccc(F)cc1OCCNC4=O,LIN0161,"Ether,Amide",6,6.2,MCD00064,MCD00064,O=C([*])NCCO[*] | |
| C[C@@H]1COc2cn3ncc4c3nc2N1Cc1ccc(F)cc1OCCNC4=O,LIN0161,"Ether,Amide",6,6.2,MCD00065,MCD00065,O=C([*])NCCO[*] | |
| CN(c1cc2cc(c1)C(=O)NC(CO)Cc1cccc(c1)OCCNC2=O)S(C)(=O)=O,LIN0161,"Ether,Amide",6,6.2,MCD03889,MCD03889,O=C([*])NCCO[*] | |
| O=C1NCCCOc2ccc3[nH]nc(c3c2)-c2ccc(C3CC3)c(c2)CO1,LIN0165,"Ether,Amide",9,9.8,MCD00061,MCD00061,O=C(NCCCO[*])OC[*] | |
| O=C1NCCCOc2ccc3[nH]nc(c3c2)-c2cc(cc(N3CCC4(COC4)C3)c2)CO1,LIN0165,"Ether,Amide",9,9.8,MCD00133,MCD00133,O=C(NCCCO[*])OC[*] | |
| O=C1NCCCOc2ccc3[nH]nc(c3c2)-c2cc(cc(N3CCN(C4COC4)CC3)c2)CO1,LIN0165,"Ether,Amide",9,9.8,MCD00185,MCD00185,O=C(NCCCO[*])OC[*] | |
| O=C1NCCCOc2ccc3[nH]nc(c3c2)-c2cc(cc(N3CCC(N4CCCC4)CC3)c2)CO1,LIN0165,"Ether,Amide",9,9.8,MCD00197,MCD00197,O=C(NCCCO[*])OC[*] | |
| O=C1NCCCOc2ccc3[nH]nc(c3c2)-c2cc(cc(N3CCC(N4CCOCC4)CC3)c2)CO1,LIN0165,"Ether,Amide",9,9.8,MCD00216,MCD00216,O=C(NCCCO[*])OC[*] | |
| CN1Cc2ccc(F)cc2OCC(C)(C)NC(=O)c2cnn3cc(F)c1nc23,LIN0169,"Ether,Amide",6,5.9,MCD00071,MCD00071,CC(C)(CO[*])NC(=O)[*] | |
| CC1(C)COc2cc(F)ccc2CN2CCOc3cn4ncc(c4nc32)C(=O)N1,LIN0169,"Ether,Amide",6,5.9,MCD00091,MCD00091,CC(C)(CO[*])NC(=O)[*] | |
| CC1(C)COc2cc(F)ccc2CN2CCCOC3=Cn4ncc(c4NC32)C(=O)N1,LIN0169,"Ether,Amide",6,5.9,MCD00104,MCD00104,CC(C)(CO[*])NC(=O)[*] | |
| CC1(COC2=C(CN3[C@@H](COC4=CN5C(=C(C=N5)C(=O)N1)N=C43)C(F)F)C=C(C=C2)F)C,LIN0169,"Ether,Amide",6,5.9,MCD18426,MCD18426,CC(C)(CO[*])NC(=O)[*] | |
| C[C@@H]1COc2cn3ncc4c3nc2N1Cc1ccc(F)cc1OCC(C)(C)NC4=O,LIN0169,"Ether,Amide",6,7.9,MCD00103,MCD00103,CC(C)(CO[*])NC(=O)[*] | |
| C[C@@H]1COc2ncc(F)cc2C23CC2CCN3c2ccn3ncc(c3n2)C(=O)N1,LIN0176,"Ether,Amide",6,6.1,MCD00086,MCD00086,C[C@H](CO[*])NC(=O)[*] | |
| C[C@@H]1CNC(=O)c2cnn3cc4c(nc23)N(Cc2ccc(F)cc2O1)[C@H](C)CO4,LIN0178,"Ether,Amide",6,7,MCD00090,MCD00090,C[C@H](CNC(=O)[*])O[*] | |
| O=C1NC2(CC2)COc2ncc(F)cc2[C@H]2CCCCN2c2ccn3ncc1c3n2,LIN0187,"Ether,Amide",6,7.9,MCD00110,MCD00110,O=C([*])NC1(CO[*])CC1 | |
| O=C1NC2(CC2)COc2ncc(F)cc2[C@H]2COCCN2c2ccn3ncc1c3n2,LIN0187,"Ether,Amide",6,7.9,MCD00111,MCD00111,O=C([*])NC1(CO[*])CC1 | |
| O=C1NC2(CC2)COc2ncc(F)cc2[C@H]2CNCCN2c2ccn3ncc1c3n2,LIN0187,"Ether,Amide",6,7.9,MCD00113,MCD00113,O=C([*])NC1(CO[*])CC1 | |
| CC(C)CCN(CC(O)C1Cc2ccc(cc2)OCCCC(=O)NC(C(C)C)C(=O)N1)S(=O)(=O)c1ccccc1,LIN0282,"Ether,Amide",12,5.8,MCD00318,MCD00318,CC(C)CCN(CC(O)C(C[*])NC(=O)C(NC(=O)CCCO[*])C(C)C)S(=O)(=O)c1ccccc1 | |
| CC1CNC(=O)c2cnn3ccc(nc23)NC(C)c2cc(F)ccc2O1,LIN0283,"Ether,Amide",6,5.4,MCD00349,MCD00349,CC(CNC(=O)[*])O[*] | |
| COc1ccc2cc1COCC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1,LIN0322,"Ether,Amide",6,7.4,MCD00741,MCD00741,O=C(COC[*])N[*] | |
| Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)C(=O)NCCCCCO4)cc(C(F)(F)F)c2)cn1,LIN0344,"Ether,Amide",9,7,MCD01069,MCD01069,O=C([*])NCCCCCO[*] | |
| Cc1cc(C)c2cc1C(=O)NCCCCCOc1cccc(c1)Sc1cc-2nc(N)n1,LIN0344,"Ether,Amide",9,9,MCD08809,MCD08809,O=C([*])NCCCCCO[*] | |
| COc1cccc(C(C)(C)NC[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCN(CCC(F)(F)F)C(=O)c3cccc(c3)C(=O)N2)c1,LIN0347,"Ether,Amide",8,8.9,MCD01085,MCD01085,O=C([*])N(CCCCO[*])CCC(F)(F)F | |
| COc1cccc(C(C)(C)NC[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCN(CCN(C)C)C(=O)c3cccc(c3)C(=O)N2)c1,LIN0349,"Ether,Amide",8,5.6,MCD01087,MCD01087,CN(C)CCN(CCCCO[*])C(=O)[*] | |
| Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)C(=O)NCCCCCCO4)cc(C(F)(F)F)c2)cn1,LIN0350,"Ether,Amide",10,11,MCD01092,MCD01092,O=C([*])NCCCCCCO[*] | |
| Cc1c2cc(cc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)OCCCCCCCNC(=O)c1ccc3ncc(n3n1)C#C2,LIN0355,"Ether,Amide",11,10.1,MCD01133,MCD01133,O=C([*])NCCCCCCCO[*] | |
| Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)C(=O)NCCCCCCCO4)cc(C(F)(F)F)c2)cn1,LIN0355,"Ether,Amide",11,10.1,MCD13281,MCD13281,O=C([*])NCCCCCCCO[*] | |
| Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)C(=O)NCCCCCCCCO4)cc(C(F)(F)F)c2)cn1,LIN0356,"Ether,Amide",12,8.5,MCD01146,MCD01146,O=C([*])NCCCCCCCCO[*] | |
| COc1cc2cc(c1)COc1ccccc1NC(=O)C(CCCCCC(=O)NO)OCCC2,LIN0402,"Ether,Amide",8,6.4,MCD04771,MCD04771,O=C(CCCCCC(OCCC[*])C(=O)N[*])NO | |
| COc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OCCC2,LIN0403,"Ether,Amide",8,4.8,MCD04772,MCD04772,O=C(CCCCC[C@H](OCCC[*])C(=O)N[*])NO | |
| COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](CCCCCC(=O)NO)OCCC2,LIN0404,"Ether,Amide",8,8,MCD04773,MCD04773,O=C(CCCCC[C@@H](OCCC[*])C(=O)N[*])NO | |
| CC(C)N1Cc2cc(c(F)cc2F)OCCCNC(=O)c2cnn3ccc1nc23,LIN0501,"Ether,Amide",7,5.6,MCD07332,MCD07332,O=C([*])NCCCO[*] | |
| CCOc1cc(C)c2cc1C(=O)NCCCOc1cccc(c1)Sc1cc-2nc(N)n1,LIN0501,"Ether,Amide",7,9.2,MCD08807,MCD08807,O=C([*])NCCCO[*] | |
| COc1cc(C)c2cc1C(=O)NCCCOc1cccc(c1)Sc1cc-2nc(N)n1,LIN0501,"Ether,Amide",7,9.2,MCD08808,MCD08808,O=C([*])NCCCO[*] | |
| Cc1cc(C)c2cc1C(=O)NCCCOc1cccc(c1)Sc1cc-2nc(N)n1,LIN0501,"Ether,Amide",7,9.2,MCD08811,MCD08811,O=C([*])NCCCO[*] | |
| CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCC(=O)N(C)CCO2,LIN0521,"Ether,Amide",8,8.6,MCD08159,MCD08159,CN(CCO[*])C(=O)CO[*] | |
| CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCNC(=O)CO2,LIN0522,"Ether,Amide",8,8,MCD08162,MCD08162,O=C(CO[*])NCCO[*] | |
| CN1Cc2cc(F)ccc2OCCN(C(=O)CCl)Cc2cnn3ccc1nc23,LIN0850,"Ether,Amide",6,7.3,MCD13415,MCD13415,O=C(CCl)N(C[*])CCO[*] | |
| O=C1Nc2cn(CCN3CCOCC3)nc2C(=O)NCCOCCc2cc(ccn2)-c2nc1cs2,LIN0898,"Ether,Amide",8,7.1,MCD16533,MCD16533,O=C([*])NCCOCC[*] | |
| O=C(CCCCN1C/C=C/COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO,LIN0005,"Ether,Amide,Double bond",9,10,MCD05824,MCD05824,O=C(CCCCN(C[*])C/C=C/CCO[*])NO | |
| O=C(CCCCC(=O)N1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO,LIN0005,"Ether,Amide,Double bond",9,10,MCD05827,MCD05827,O=C(CCCCN(C[*])C/C=C/CCO[*])NO | |
| O=C(CCCCN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO,LIN0005,"Ether,Amide,Double bond",9,10,MCD05830,MCD05830,O=C(CCCCN(C[*])C/C=C/CCO[*])NO | |
| O=C(CCCCCN1C/C=C/COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO,LIN0006,"Ether,Amide,Double bond",9,8.4,MCD05823,MCD05823,O=C(CCCCCN(C[*])C/C=C/CCO[*])NO | |
| O=C1CC/C=C\COc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)N1,LIN0079,"Ether,Amide,Double bond",9,8,MCD05030,MCD05030,O=C(CC/C=C\CO[*])N[*] | |
| COc1cc2cc(c1)COc1ccccc1NC(=O)C(CCCCCC(=O)NO)OC/C=C\2,LIN0399,"Ether,Amide,Double bond",8,8.2,MCD04768,MCD04768,O=C(CCCCCC(OC/C=C\[*])C(=O)N[*])NO | |
| COc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OC/C=C\2,LIN0400,"Ether,Amide,Double bond",8,6.7,MCD04769,MCD04769,O=C(CCCCC[C@H](OC/C=C\[*])C(=O)N[*])NO | |
| COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](CCCCCC(=O)NO)OC/C=C\2,LIN0401,"Ether,Amide,Double bond",8,7.8,MCD04770,MCD04770,O=C(CCCCC[C@@H](OC/C=C\[*])C(=O)N[*])NO | |
| O=C1Cc2cccc(c2)OCC/C=C/CCCC(=O)Nc2nnc(s2)CCCCc2nnc(s2)C1,LIN0559,"Ether,Amide,Double bond",11,13.9,MCD08446,MCD08446,O=C(CCC/C=C/CCO[*])N[*] | |
| O=C1CCc2cccc(c2)OCC/C=C/CCCC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1,LIN0559,"Ether,Amide,Double bond",11,13.9,MCD08447,MCD08447,O=C(CCC/C=C/CCO[*])N[*] | |
| O=C1CCCC/C=C/CCCCOc2cccc(c2)CCC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1,LIN0561,"Ether,Amide,Double bond",14,12.1,MCD08449,MCD08449,O=C(CCCC/C=C/CCCCO[*])N[*] | |
| O=C1NCCCOc2ccc3[nH]nc(c3c2)-c2csc(n2)CCO1,LIN0155,"Ether,Amide,Ester",10,10.6,MCD00009,MCD00009,O=C(NCCCO[*])OCC[*] | |
| N#C[C@]1(C2CC2)C(=O)N2C[C@H]1COCC(=O)NCCCc1cccc(n1)Nc1cc2ccn1,LIN0519,"Ether,Amide,Ring structure ",12,9.6,MCD08109,MCD08109,N#C[C@]1(C2CC2)C(=O)N([*])C[C@H]1COCC(=O)NCCC[*] | |
| Nc1cc2c(cc1Cl)C(=O)NC1CCN(CCOCCO2)CC1,LIN0574,"Ether,Amide,Ring structure ",13,12.7,MCD09722,MCD09722,O=C([*])NC1CCN(CCOCCO[*])CC1 | |
| Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)NCCOCCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3,LIN0258,"Ether,Amide,Sulfonamide",10,9.8,MCD00270,MCD00270,O=C([*])NCCOCCNS(=O)(=O)[*] | |
| CN1Cc2ccccc2N(S(C)(=O)=O)CCCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c1n2,LIN0020,"Ether,Amine",7,7.8,MCD06519,MCD06519,CS(=O)(=O)N([*])CCCCC(=O)[*] | |
| CCS(=O)(=O)N1CCCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2ccccc21,LIN0020,"Ether,Amine",7,7.8,MCD06520,MCD06520,CS(=O)(=O)N([*])CCCCC(=O)[*] | |
| CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2ccccc21,LIN0020,"Ether,Amine",7,7.8,MCD06521,MCD06521,CS(=O)(=O)N([*])CCCCC(=O)[*] | |
| CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21,LIN0020,"Ether,Amine",7,7.8,MCD06522,MCD06522,CS(=O)(=O)N([*])CCCCC(=O)[*] | |
| CN1CCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCCOCC1,LIN0026,"Ether,Amine",13,12.8,MCD02932,MCD02932,CN(CCC[*])CCOCCOCC[*] | |
| CN1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCN(C)CC1,LIN0027,"Ether,Amine",12,13.8,MCD02921,MCD02921,CN(CCOCC[*])CCOCC[*] | |
| CN1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCC1,LIN0027,"Ether,Amine",12,13.8,MCD02975,MCD02975,CN(CCOCC[*])CCOCC[*] | |
| CN1CCOCCOCCN(C)CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CC1,LIN0029,"Ether,Amine",15,12.9,MCD02882,MCD02882,CN(CC[*])CCOCCOCCN(C)CC[*] | |
| CN1CCOCCN(C)CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CC1,LIN0030,"Ether,Amine",12,13.5,MCD02971,MCD02971,CN(CC[*])CCOCCN(C)CC[*] | |
| CN1CCOc2cccc3nc(O)c(nc23)-c2cccc3c(O)n(nc23)CC1,LIN0031,"Ether,Amine",7,7.5,MCD03878,MCD03878,CN(CC[*])CCO[*] | |
| CN1CCOc2cccc3nc(O)c(nc23)-c2cccc3c(=O)n(sc23)CC1,LIN0031,"Ether,Amine",7,7.1,MCD03879,MCD03879,CN(CC[*])CCO[*] | |
| CN1CCCCOc2ccnc3[nH]c(=O)n(c23)-c2nc1ccc2Cl,LIN0037,"Ether,Amine",7,8.8,MCD06860,MCD06860,CN([*])CCCCO[*] | |
| CN1CCCCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2,LIN0037,"Ether,Amine",7,6.2,MCD00196,MCD00196,CN([*])CCCCO[*] | |
| CC[C@H]1c2cc3nc(N4CC[C@H](N)C4)cc(n3n2)N(C)CCCCOc2ccc(C)cc2C(=O)N1C,LIN0037,"Ether,Amine",7,7.2,MCD00209,MCD00209,CN([*])CCCCO[*] | |
| CCN1CCOCCN(CC)CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCC1,LIN0038,"Ether,Amine",15,15.2,MCD02922,MCD02922,CCN(CC[*])CCOCCN(CC)CCOCC[*] | |
| CCN1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCC1,LIN0039,"Ether,Amine",12,10.9,MCD02946,MCD02946,CCN(CCOCC[*])CCOCC[*] | |
| CCN1CCOCCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CC1,LIN0040,"Ether,Amine",12,12.8,MCD02891,MCD02891,CCN(CC[*])CCOCCOCC[*] | |
| CC(C)N1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCC1,LIN0041,"Ether,Amine",12,11,MCD02920,MCD02920,CC(C)N(CCOCC[*])CCOCC[*] | |
| COc1cc2ncnc3c2cc1OCCCCCN(C)Cc1ccc(Br)cc1N3,LIN0055,"Ether,Amine",9,8.7,MCD07318,MCD07318,CN(C[*])CCCCCO[*] | |
| Clc1cc2cc(c1)-c1cnn3ccc(nc13)NCCOCCO2,LIN0083,"Ether,Amine",8,9.1,MCD08059,MCD08059,[*]NCCOCCO[*] | |
| O=C(NCc1ccc(Cl)cc1Cl)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD00903,MCD00903,[*]NCCOCCO[*] | |
| O=C(NCc1ccc(Cl)cc1F)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD00904,MCD00904,[*]NCCOCCO[*] | |
| Cc1cc(Cl)ccc1CNC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD00905,MCD00905,[*]NCCOCCO[*] | |
| O=C(NCc1cc(Cl)cc(Cl)c1)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD00906,MCD00906,[*]NCCOCCO[*] | |
| O=C(NCc1cc(F)cc(Cl)c1)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD00907,MCD00907,[*]NCCOCCO[*] | |
| CC(NC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccccc1,LIN0083,"Ether,Amine",8,8.6,MCD00911,MCD00911,[*]NCCOCCO[*] | |
| C[C@H](NC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccccc1,LIN0083,"Ether,Amine",8,8.6,MCD00912,MCD00912,[*]NCCOCCO[*] | |
| C[C@@H](NC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccccc1,LIN0083,"Ether,Amine",8,8.6,MCD00913,MCD00913,[*]NCCOCCO[*] | |
| CC(NC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1)c1cccc2ccccc12,LIN0083,"Ether,Amine",8,8.6,MCD00914,MCD00914,[*]NCCOCCO[*] | |
| O=C(NCc1cccnc1)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD00915,MCD00915,[*]NCCOCCO[*] | |
| O=C(NCc1ccncc1)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD00916,MCD00916,[*]NCCOCCO[*] | |
| C[C@@H](NC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccncc1,LIN0083,"Ether,Amine",8,8.6,MCD00917,MCD00917,[*]NCCOCCO[*] | |
| C[C@H](NC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccncc1,LIN0083,"Ether,Amine",8,8.6,MCD00918,MCD00918,[*]NCCOCCO[*] | |
| O=C(NCc1ccnc2ccccc12)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD00919,MCD00919,[*]NCCOCCO[*] | |
| NC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD00920,MCD00920,[*]NCCOCCO[*] | |
| CNC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD00921,MCD00921,[*]NCCOCCO[*] | |
| CN1CCN(C(=O)c2ccc3cc2OCCOCCNc2ccn4ncc-3c4n2)CC1,LIN0083,"Ether,Amine",8,8.6,MCD00923,MCD00923,[*]NCCOCCO[*] | |
| O=C(c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1)N1CCOCC1,LIN0083,"Ether,Amine",8,8.6,MCD00924,MCD00924,[*]NCCOCCO[*] | |
| O=C(O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD08231,MCD08231,[*]NCCOCCO[*] | |
| COC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD08234,MCD08234,[*]NCCOCCO[*] | |
| c1cc2cc(c1)-c1cnn3ccc(nc13)NCCOCCO2,LIN0083,"Ether,Amine",8,8.6,MCD08236,MCD08236,[*]NCCOCCO[*] | |
| Cc1cc(Cl)ccc1CNC(=O)Nc1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD13171,MCD13171,[*]NCCOCCO[*] | |
| O=C(NCc1ccccc1)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD13172,MCD13172,[*]NCCOCCO[*] | |
| CC(C)(C)NC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,LIN0083,"Ether,Amine",8,8.6,MCD13173,MCD13173,[*]NCCOCCO[*] | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCN(CCO)CCOCCn1cc2c2ccccc21,LIN0106,"Ether,Amine",12,7.3,MCD02964,MCD02964,OCCN(CCOCC[*])CCOCC[*] | |
| O=c1c2cccc3c2sn1CCNCCOc1cccc2nc(O)c-3nc12,LIN0111,"Ether,Amine",7,7,MCD03880,MCD03880,[*]CCNCCO[*] | |
| c1cc2c(cn1)Oc1ccc3cc1N2CCCCNCCCCO3,LIN0156,"Ether,Amine",11,10.1,MCD00010,MCD00010,[*]CCCCNCCCCO[*] | |
| c1cc2c(cn1)Oc1ccc3cc1N2CCCNCCOCCO3,LIN0157,"Ether,Amine",11,11.6,MCD00011,MCD00011,[*]CCCNCCOCCO[*] | |
| C[C@H]1CNCc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O1,LIN0159,"Ether,Amine",6,7.4,MCD00013,MCD00013,C[C@@H](CNC[*])O[*] | |
| CC(=O)N1CCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1,LIN0164,"Ether,Amine",6,7.2,MCD00039,MCD00039,CC(=O)N(C[*])CCO[*] | |
| CC(=O)N1Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O[C@@H](C)C1,LIN0170,"Ether,Amine",6,6.9,MCD00072,MCD00072,CC(=O)N(C[*])C[C@H](C)O[*] | |
| CN1Cc2cc(F)ccc2OCCN(S(C)(=O)=O)Cc2cnn3ccc1nc23,LIN0171,"Ether,Amine",6,5.2,MCD00073,MCD00073,CS(=O)(=O)N(C[*])CCO[*] | |
| CCS(=O)(=O)N1CCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1,LIN0172,"Ether,Amine",6,6.5,MCD00080,MCD00080,CCS(=O)(=O)N(C[*])CCO[*] | |
| C[C@H]1CN(S(C)(=O)=O)Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O1,LIN0173,"Ether,Amine",6,5.9,MCD00081,MCD00081,C[C@@H](CN(C[*])S(C)(=O)=O)O[*] | |
| CN1Cc2cc(F)ccc2OCCN(S(=O)(=O)CCl)Cc2cnn3ccc1nc23,LIN0174,"Ether,Amine",6,7.1,MCD00082,MCD00082,O=S(=O)(CCl)N(C[*])CCO[*] | |
| CCS(=O)(=O)N1Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O[C@@H](C)C1,LIN0185,"Ether,Amine",6,4.6,MCD00105,MCD00105,CCS(=O)(=O)N(C[*])C[C@H](C)O[*] | |
| CCS(=O)(=O)N1CCCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1,LIN0186,"Ether,Amine",7,8.1,MCD00106,MCD00106,CCS(=O)(=O)N(C[*])CCCO[*] | |
| CCS(=O)(=O)N1CCCOc2cccc(c2)CN(C)c2ccn3ncc(c3n2)C1,LIN0186,"Ether,Amine",7,8.1,MCD13414,MCD13414,CCS(=O)(=O)N(C[*])CCCO[*] | |
| CC[C@H]1c2cc3nc(N4CC[C@H](N)C4)c(C)c(n3n2)NCCCCOc2ccc(C)cc2C(=O)N1C,LIN0234,"Ether,Amine",7,7.5,MCD00210,MCD00210,[*]NCCCCO[*] | |
| COCc1cc2cc(c1)C(=O)NC(C(O)CNC1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD00389,MCD00389,[*]NCCCCO[*] | |
| COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD04545,MCD04545,[*]NCCCCO[*] | |
| COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNC1(c3cccc(C(C)(C)C)c3)CCC1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD04547,MCD04547,[*]NCCCCO[*] | |
| COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNC(C)(C)c1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD04548,MCD04548,[*]NCCCCO[*] | |
| CCCS(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD04549,MCD04549,[*]NCCCCO[*] | |
| Cc1cc2cc(n1)NCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNCc1cccc(C(C)C)c1)NC2=O,LIN0234,"Ether,Amine",7,7.5,MCD04552,MCD04552,[*]NCCCCO[*] | |
| COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNCc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD04553,MCD04553,[*]NCCCCO[*] | |
| COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNC(CF)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD04556,MCD04556,[*]NCCCCO[*] | |
| COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNC(COC)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD04558,MCD04558,[*]NCCCCO[*] | |
| CCCS(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNCc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD04559,MCD04559,[*]NCCCCO[*] | |
| CC(=O)c1cc2cc(c1)C(=O)NC(C(O)CNC1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD13024,MCD13024,[*]NCCCCO[*] | |
| COCc1cc2cc(c1)C(=O)NC(C(O)C1COC(COC)CN1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD13031,MCD13031,[*]NCCCCO[*] | |
| CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD17861,MCD17861,[*]NCCCCO[*] | |
| COCc1cc2cc(c1)C(O)=N[C@H]([C@H](O)[C@H]1CO[C@@H](COC)CN1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD18560,MCD18560,[*]NCCCCO[*] | |
| CC(=O)c1cc2cc(c1)C(O)=N[C@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD18641,MCD18641,[*]NCCCCO[*] | |
| COCc1cc2cc(c1)C(O)=N[C@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2,LIN0234,"Ether,Amine",7,7.5,MCD18642,MCD18642,[*]NCCCCO[*] | |
| CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCNc3cc(cc(N4C=COC4)c3)C(=O)N2)c1,LIN0234,"Ether,Amine",7,8.5,MCD04560,MCD04560,[*]NCCCCO[*] | |
| CN1CCOCCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2,LIN0236,"Ether,Amine",8,8,MCD00215,MCD00215,CN([*])CCOCCO[*] | |
| CN1CCNCCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2,LIN0237,"Ether,Amine",8,6.7,MCD00217,MCD00217,CN([*])CCNCCO[*] | |
| CN1CCNC(C(F)(F)F)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2,LIN0260,"Ether,Amine",8,9.1,MCD00272,MCD00272,CN([*])CCNC(CO[*])C(F)(F)F | |
| CC(C)c1cnn2c3nc(nc12)NCC1(CCCCOc2ccccc2CN3)CCNCC1,LIN0326,"Ether,Amine",9,5.1,MCD00925,MCD00925,[*]NCC1(CCCCO[*])CCNCC1 | |
| CC(C)c1cnn2c3nc(nc12)N(CC1CCNCC1)CCCCCCOc1ccccc1CN3,LIN0327,"Ether,Amine",9,7.4,MCD00926,MCD00926,[*]OCCCCCCN([*])CC1CCNCC1 | |
| COc1ccc2c(c1)CNc1nc(nc3c(C(C)C)cnn13)NCC1(CCCCCO2)CCNCC1,LIN0333,"Ether,Amine",10,9.2,MCD00969,MCD00969,[*]NCC1(CCCCCO[*])CCNCC1 | |
| Cc1ccc2c(n1)OCCCCCC1(CCNCC1)CNc1nc(n3ncc(C(C)C)c3n1)NC2,LIN0333,"Ether,Amine",10,9.2,MCD00971,MCD00971,[*]NCC1(CCCCCO[*])CCNCC1 | |
| CC(C)c1cnn2c3nc(nc12)NCC1(CCCCCOc2ccccc2CN3)CNC1,LIN0334,"Ether,Amine",10,10.6,MCD00957,MCD00957,[*]NCC1(CCCCCO[*])CNC1 | |
| COC1CCCC2(CCNCC2)CNc2nc(n3ncc(C(C)C)c3n2)NCc2ccccc2OC1,LIN0342,"Ether,Amine",10,5.5,MCD00975,MCD00975,COC(CCCC1(CN[*])CCNCC1)CO[*] | |
| CC(C)c1cnn2c3nc(nc12)NCC1(CCCCCCOc2ccccc2CN3)CCNCC1,LIN0345,"Ether,Amine",11,10.6,MCD01070,MCD01070,[*]NCC1(CCCCCCO[*])CCNCC1 | |
| COc1cccc(C(C)(C)NC[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCN(CC(C)(C)C)C(=O)c3cccc(c3)C(=O)N2)c1,LIN0348,"Ether,Amine",8,6,MCD01086,MCD01086,CC(C)(C)CN(CCCCO[*])C(=O)[*] | |
| Cc1c2c(n3c1CCNCCOCCNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,LIN0414,"Ether,Amine",10,11,MCD04860,MCD04860,[*]CCNCCOCCN[*] | |
| OC1CCNc2cc[n+](c3ccccc23)CCCCC[n+]2ccc(c3ccccc32)NCC1,LIN0471,"Ether,Amine",8,9.5,MCD05414,MCD05414,OC(CCN[*])CCN[*] | |
| O=C1CCNc2cc[n+](c3ccccc23)CCCCC[n+]2ccc(c3ccccc32)NCC1,LIN0472,"Ether,Amine",8,9.9,MCD05415,MCD05415,O=C(CCN[*])CCN[*] | |
| c1cc2ccc3cc2cc1CNCCOCCNCc1ccc2ccc(cc2c1)CNCCOCCNC3,LIN0497,"Ether,Amine",10,11,MCD07083,MCD07083,[*]CNCCOCCNC[*] | |
| CN1CCCCCOc2cc(cc3c2N(C)C(=O)CC3)Nc2cc1nc1c(C#N)cnn21,LIN0499,"Ether,Amine",8,10.1,MCD07305,MCD07305,CN([*])CCCCCO[*] | |
| C[C@@H]1CCCCN(C)c2cc(n3ncc(C#N)c3n2)Nc2cc3c(c(c2)O1)N(C)C(=O)CC3,LIN0500,"Ether,Amine",8,8.8,MCD07306,MCD07306,C[C@H](CCCCN(C)[*])O[*] | |
| Fc1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOCCCC2,LIN0526,"Ether,Amine",9,10.9,MCD08207,MCD08207,[*]CCCCOCCN[*] | |
| Cc1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOCCCC2,LIN0526,"Ether,Amine",9,10.9,MCD08214,MCD08214,[*]CCCCOCCN[*] | |
| FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOCCCC2,LIN0526,"Ether,Amine",9,10.9,MCD08224,MCD08224,[*]CCCCOCCN[*] | |
| FC(F)(F)c1cccc(-c2nc3nc(n2)Nc2cc(Cl)cc(c2)CCCCOCCN3)n1,LIN0526,"Ether,Amine",9,10.1,MCD08223,MCD08223,[*]CCCCOCCN[*] | |
| CC1(C)CNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)OCCCO1,LIN0531,"Ether,Amine",9,6.7,MCD08213,MCD08213,CC(C)(CN[*])OCCCO[*] | |
| CC1(C)CNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)CCCCO1,LIN0533,"Ether,Amine",9,8.5,MCD08216,MCD08216,CC(C)(CN[*])OCCCC[*] | |
| CC1CNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)CCCCO1,LIN0534,"Ether,Amine",9,10.2,MCD08217,MCD08217,CC(CN[*])OCCCC[*] | |
| CC1(C)CCNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)CCCCO1,LIN0539,"Ether,Amine",10,10.8,MCD08222,MCD08222,CC(C)(CCN[*])OCCCC[*] | |
| FC(F)(F)c1cc2cc(c1)OCCCCCCNc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)N2,LIN0540,"Ether,Amine",9,8,MCD08228,MCD08228,[*]NCCCCCCO[*] | |
| CC(C)(C)OC(=O)N1CCOCCOc2cc(ccc2C(=O)O)-c2cnn3ccc1nc23,LIN0543,"Ether,Amine",8,7.7,MCD08232,MCD08232,CC(C)(C)OC(=O)N([*])CCOCCO[*] | |
| COC(=O)c1ccc2cc1OCCOCCN(C(=O)OC(C)(C)C)c1ccn3ncc-2c3n1,LIN0543,"Ether,Amine",8,7.7,MCD08233,MCD08233,CC(C)(C)OC(=O)N([*])CCOCCO[*] | |
| Nc1cc(C2CCNCC3(CCCC3)COc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1,LIN0548,"Ether,Amine",9,4.4,MCD08302,MCD08302,Nc1cc(C([*])CCNCC2(CO[*])CCCC2)c2nn[nH]c2n1 | |
| Cc1cc(C)c2cc1C(=O)NCCCCOc1cccc(c1)Sc1cc-2nc(N)n1,LIN0570,"Ether,Amine",8,8.1,MCD08810,MCD08810,O=C([*])NCCCCO[*] | |
| CN1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C1,LIN0573,"Ether,Amine",11,10.9,MCD09599,MCD09599,CN(CCCCCO[*])C[C@H](Cc1ccccc1)N[*] | |
| O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCNCCOc2ccc(Cl)cc2CN1,LIN0577,"Ether,Amine",12,11.6,MCD10632,MCD10632,[*]N[C@H](CNCCCNCCO[*])Cc1ccccc1 | |
| c1cc2ccc3cc2cc1C[NH2+]CCOCC[NH2+]Cc1ccc2ccc(cc2c1)C[NH2+]CCOCC[NH2+]C3,LIN0816,"Ether,Amine",10,9.7,MCD12888,MCD12888,[*]C[NH2+]CCOCC[NH2+]C[*] | |
| C1=CN(CCN2CCOCC2)CCNc2ccn3ncc(c3n2)-c2cccc(c2)O1,LIN0829,"Ether,Amine",8,9.5,MCD13112,MCD13112,[*]NCCN(C=CO[*])CCN1CCOCC1 | |
| C[C@H]1CN(S(=O)(=O)CCl)Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O1,LIN0840,"Ether,Amine",6,5.9,MCD13402,MCD13402,C[C@@H](CN(C[*])S(=O)(=O)CCl)O[*] | |
| C=CC(=O)N1CCCOc2cccc(c2)CN(C)c2ccn3ncc(c3n2)C1,LIN0841,"Ether,Amine",7,7.5,MCD13403,MCD13403,C=CC(=O)N(C[*])CCCO[*] | |
| CC(=O)N1CCCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1,LIN0842,"Ether,Amine",7,7.4,MCD13404,MCD13404,CC(=O)N(C[*])CCCO[*] | |
| CC(=O)N1CCCOc2cccc(c2)CN(C)c2ccn3ncc(c3n2)C1,LIN0842,"Ether,Amine",7,7.4,MCD13406,MCD13406,CC(=O)N(C[*])CCCO[*] | |
| CN1Cc2cccc(c2)OCCCNCc2cnn3ccc1nc23,LIN0843,"Ether,Amine",7,8.3,MCD13405,MCD13405,[*]CNCCCO[*] | |
| CN1Cc2cc(F)ccc2OCCCNCc2cnn3ccc1nc23,LIN0843,"Ether,Amine",7,8.3,MCD13410,MCD13410,[*]CNCCCO[*] | |
| CN1Cc2cccc(c2)OCCCN(S(=O)(=O)CCl)Cc2cnn3ccc1nc23,LIN0844,"Ether,Amine",7,6.3,MCD13407,MCD13407,O=S(=O)(CCl)N(C[*])CCCO[*] | |
| CN1Cc2cc(F)ccc2OCCNCc2cnn3ccc1nc23,LIN0845,"Ether,Amine",6,7.8,MCD13408,MCD13408,[*]CNCCO[*] | |
| CCNC(=O)N1CCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1,LIN0846,"Ether,Amine",6,4.5,MCD13409,MCD13409,CCNC(=O)N(C[*])CCO[*] | |
| C=CC(=O)N1CCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1,LIN0847,"Ether,Amine",6,7.1,MCD13411,MCD13411,C=CC(=O)N(C[*])CCO[*] | |
| C[C@H]1CN(C(=O)CCl)Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O1,LIN0848,"Ether,Amine",6,4.4,MCD13412,MCD13412,C[C@@H](CN(C[*])C(=O)CCl)O[*] | |
| CN1Cc2cc(F)ccc2OCCCN(S(C)(=O)=O)Cc2cnn3ccc1nc23,LIN0849,"Ether,Amine",7,7.8,MCD13413,MCD13413,CS(=O)(=O)N(C[*])CCCO[*] | |
| CC(O)c1ccc2c(c1)OCCOCCN(C)CCOCCO2,LIN0870,"Ether,Amine",14,15.1,MCD14302,MCD14302,CN(CCOCCO[*])CCOCCO[*] | |
| CN1CCOCCOc2ccccc2OCCOCC1,LIN0870,"Ether,Amine",14,15.1,MCD17577,MCD17577,CN(CCOCCO[*])CCOCCO[*] | |
| O=C(N1CCOCCOc2ccccc2OCCOCC1)C(F)(F)F,LIN0871,"Ether,Amine",14,15.6,MCD14309,MCD14309,O=C(N(CCOCCO[*])CCOCCO[*])C(F)(F)F | |
| CC(C)c1cnn2c3nc(nc12)N(CC1CCNCC1)CCCCCOc1ccccc1CN3,LIN0904,"Ether,Amine",8,9.1,MCD17897,MCD17897,[*]OCCCCCN([*])CC1CCNCC1 | |
| Clc1cc2cc(c1)-c1cnn3c1NC(=NCCOCCO2)C=C3,LIN0926,"Ether,Amine",8,8.5,MCD18442,MCD18442,[*]OCCOCCN=[*] | |
| C[C@H]1CN=C(O)c2cnn3c2NC(=N[C@H](C)c2cc(F)ccc2O1)C=C3,LIN0930,"Ether,Amine",6,6.8,MCD18457,MCD18457,C[C@@H](CN=C(O)[*])O[*] | |
| CN1CCN(C)c2cc(N3CCC3)nc3cc(nn23)[C@@H]2CCCCN2C(=O)c2cc(F)ccc2OCC1=O,LIN0252,"Ether,Amine,Amide",8,8.3,MCD00252,MCD00252,CN([*])CCN(C)C(=O)CO[*] | |
| Cc1c2cc(cc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)OCCCCC(=O)NCCN(C)c1ccc3ncc(n3n1)C#C2,LIN0300,"Ether,Amine,Amide",11,11.8,MCD00472,MCD00472,CN([*])CCNC(=O)CCCCO[*] | |
| Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)N(C)CCNC(=O)CCCCO4)cc(C(F)(F)F)c2)cn1,LIN0300,"Ether,Amine,Amide",11,11.8,MCD13209,MCD13209,CN([*])CCNC(=O)CCCCO[*] | |
| O=C1Cc2cccc(c2)OCCCCNCCN1,LIN0316,"Ether,Amine,Amide",12,10.1,MCD00710,MCD00710,O=C(C[*])NCCNCCCCO[*] | |
| Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)NCCNC(=O)CCCCO4)cc(C(F)(F)F)c2)cn1,LIN0351,"Ether,Amine,Amide",11,11.3,MCD01127,MCD01127,O=C(CCCCO[*])NCCN[*] | |
| Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)NCCN(C)C(=O)CCCCO4)cc(C(F)(F)F)c2)cn1,LIN0352,"Ether,Amine,Amide",11,11.1,MCD01128,MCD01128,CN(CCN[*])C(=O)CCCCO[*] | |
| Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)NCCC(=O)N(C)CCCCO4)cc(C(F)(F)F)c2)cn1,LIN0353,"Ether,Amine,Amide",11,9.4,MCD01130,MCD01130,CN(CCCCO[*])C(=O)CCN[*] | |
| CCN1CCCCCOc2cc(N)c(Cl)cc2C(=O)NCCC1,LIN0369,"Ether,Amine,Amide",13,12.8,MCD03081,MCD03081,CCN(CCCCCO[*])CCCNC(=O)[*] | |
| CN1CCOc2ccccc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)C1,LIN0572,"Ether,Amine,Amide",11,9.7,MCD09569,MCD09569,CN(CCO[*])CC(=O)NC[C@H](Cc1ccccc1)N[*] | |
| COCCOc1ccc2cc1OCC(=O)N(C)CCCNCc1c[nH]c3ncnc(c13)N2,LIN0827,"Ether,Amine,Amide",10,9.9,MCD13107,MCD13107,CN(CCCNC[*])C(=O)CO[*] | |
| Cc1nn2cc1CN(C)CCOCCNC(=O)c1cn(C)c3ccc(cc13)Nc1nccc-2n1,LIN0834,"Ether,Amine,Amide",10,7.7,MCD13253,MCD13253,CN(C[*])CCOCCNC(=O)[*] | |
| Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)NCCC(=O)NCCCCO4)cc(C(F)(F)F)c2)cn1,LIN0838,"Ether,Amine,Amide",11,13,MCD13282,MCD13282,O=C(CCN[*])NCCCCO[*] | |
| Cc1nn2cc1CN(C)CCOCCN=C(O)c1cn(C)c3ccc(cc13)Nc1nccc-2n1,LIN0936,"Ether,Amine,Amide",10,10.6,MCD18507,MCD18507,CN(C[*])CCOCCN=C(O)[*] | |
| N#Cc1cnn2c3cc(nc12)N1CCC[C@@H]1CC(=O)NCCOc1cc(cc2c1NC(=O)CC2)N3,LIN0492,"Ether,Amine,Amide,Ring structure ",9,6.8,MCD06840,MCD06840,O=C(C[C@H]1CCCN1[*])NCCO[*] | |
| O=C(CCCCCCN1C/C=C/COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO,LIN0007,"Ether,Amine,Double bond",9,9.2,MCD05822,MCD05822,O=C(CCCCCCN(C[*])C/C=C/COC[*])NO | |
| O=C(CCCCCCCC(=O)N1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO,LIN0008,"Ether,Amine,Double bond",9,8.9,MCD05825,MCD05825,O=C(CCCCCCN(C[*])C/C=C/CCO[*])NO | |
| O=C(CCCCCCC(=O)N1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO,LIN0008,"Ether,Amine,Double bond",9,8.9,MCD05826,MCD05826,O=C(CCCCCCN(C[*])C/C=C/CCO[*])NO | |
| O=C(CCCCCCN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO,LIN0008,"Ether,Amine,Double bond",9,8.9,MCD05828,MCD05828,O=C(CCCCCCN(C[*])C/C=C/CCO[*])NO | |
| O=C(CCCCCN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO,LIN0008,"Ether,Amine,Double bond",9,8.9,MCD05829,MCD05829,O=C(CCCCCCN(C[*])C/C=C/CCO[*])NO | |
| O=C(CCCCCCCC(=O)N1C/C=C/COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO,LIN0010,"Ether,Amine,Double bond",9,10.4,MCD05819,MCD05819,O=C(CCCCCCCC(=O)N(C[*])C/C=C/COC[*])NO | |
| O=C(CCCCCCC(=O)N1C/C=C/COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO,LIN0010,"Ether,Amine,Double bond",9,10.4,MCD05820,MCD05820,O=C(CCCCCCCC(=O)N(C[*])C/C=C/COC[*])NO | |
| O=C(CCCCC(=O)N1C/C=C/COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO,LIN0012,"Ether,Amine,Double bond",9,9.4,MCD05821,MCD05821,O=C(CCCCC(=O)N(C[*])C/C=C/COC[*])NO | |
| CN1C/C=C/COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1,LIN0035,"Ether,Amine,Double bond",9,9.6,MCD05035,MCD05035,CN(C[*])C/C=C/COC[*] | |
| CN1C/C=C/COCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)C1,LIN0035,"Ether,Amine,Double bond",9,9.6,MCD05036,MCD05036,CN(C[*])C/C=C/COC[*] | |
| CN1C/C=C/COCc2ccc(o2)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)C1,LIN0035,"Ether,Amine,Double bond",9,9.2,MCD05160,MCD05160,CN(C[*])C/C=C/COC[*] | |
| CN1C/C=C/COCc2ccc(s2)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)C1,LIN0035,"Ether,Amine,Double bond",9,9.2,MCD05161,MCD05161,CN(C[*])C/C=C/COC[*] | |
| COCCOc1ccc2cc1CN(C)C/C=C/COCc1ccc(o1)-c1ccnc(n1)N2,LIN0035,"Ether,Amine,Double bond",9,9.2,MCD05162,MCD05162,CN(C[*])C/C=C/COC[*] | |
| COCCOc1ccc2cc1CN(C)C/C=C/COCc1ccc(s1)-c1ccnc(n1)N2,LIN0035,"Ether,Amine,Double bond",9,9.2,MCD05163,MCD05163,CN(C[*])C/C=C/COC[*] | |
| C1=C/CNCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1,LIN0063,"Ether,Amine,Double bond",9,10.6,MCD05033,MCD05033,[*]CNC/C=C/CCO[*] | |
| C1=C/CNc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1,LIN0064,"Ether,Amine,Double bond",8,9.3,MCD05032,MCD05032,[*]NC/C=C/CCO[*] | |
| COCCN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1,LIN0065,"Ether,Amine,Double bond",9,8.8,MCD05041,MCD05041,COCCN(C[*])C/C=C/CCO[*] | |
| OCCN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1,LIN0066,"Ether,Amine,Double bond",9,10,MCD05042,MCD05042,OCCN(C[*])C/C=C/CCO[*] | |
| C1=C/CN(Cc2ccccn2)Cc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1,LIN0067,"Ether,Amine,Double bond",9,7.8,MCD05040,MCD05040,[*]CN(C/C=C/CCO[*])Cc1ccccn1 | |
| FC(F)(F)CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)C1,LIN0068,"Ether,Amine,Double bond",9,9.3,MCD05057,MCD05057,FC(F)(F)CN(C[*])C/C=C/CCO[*] | |
| CC(C)CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1,LIN0069,"Ether,Amine,Double bond",9,6.4,MCD05038,MCD05038,CC(C)CN(C[*])C/C=C/CCO[*] | |
| N#CCN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)C1,LIN0070,"Ether,Amine,Double bond",9,10.1,MCD05058,MCD05058,N#CCN(C[*])C/C=C/CCO[*] | |
| C1=C/CN(C2CC2)Cc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1,LIN0071,"Ether,Amine,Double bond",9,6.6,MCD05037,MCD05037,[*]CN(C/C=C/CCO[*])C1CC1 | |
| C1=C/CN(CC2CC2)Cc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1,LIN0071,"Ether,Amine,Double bond",9,6.6,MCD05039,MCD05039,[*]CN(C/C=C/CCO[*])C1CC1 | |
| CC(C)NCC(=O)N1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1,LIN0072,"Ether,Amine,Double bond",9,10,MCD05043,MCD05043,CC(C)NCC(=O)N(C[*])C/C=C/CCO[*] | |
| Cc1cnc2nc1-c1cccc(c1)OCC/C=C/CN(C)Cc1cccc(c1)N2,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05020,MCD05020,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cccc(c2)-c2nc(nc3[nH]cnc23)Nc2cccc(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05021,MCD05021,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05034,MCD05034,CN(C[*])C/C=C/CCO[*] | |
| COc1ccc2cc1CN(C)C/C=C/CCOc1cccc(c1)-c1ccnc(n1)N2,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05044,MCD05044,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(Cl)c(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05045,MCD05045,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OC(F)(F)F)c(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05046,MCD05046,CN(C[*])C/C=C/CCO[*] | |
| COCCOc1ccc2cc1CN(C)C/C=C/CCOc1cccc(c1)-c1ccnc(n1)N2,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05047,MCD05047,CN(C[*])C/C=C/CCO[*] | |
| CCS(=O)(=O)c1ccc2cc1CN(C)C/C=C/CCOc1cccc(c1)-c1ccnc(n1)N2,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05048,MCD05048,CN(C[*])C/C=C/CCO[*] | |
| CCS(=O)(=O)CCOc1ccc2cc1CN(C)C/C=C/CCOc1cccc(c1)-c1ccnc(n1)N2,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05049,MCD05049,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCC(=O)N3CCCC3)c(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05050,MCD05050,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(N3CCOCC3)c(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05051,MCD05051,CN(C[*])C/C=C/CCO[*] | |
| CCN(CC)CCOc1ccc2cc1CN(C)C/C=C/CCOc1cccc(c1)-c1ccnc(n1)N2,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05052,MCD05052,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05053,MCD05053,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCCN3CCOCC3)c(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05054,MCD05054,CN(C[*])C/C=C/CCO[*] | |
| CN1CCN(CCOc2ccc3cc2CN(C)C/C=C/CCOc2cccc(c2)-c2ccnc(n2)N3)CC1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05055,MCD05055,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCCN3CCCCC3)c(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05056,MCD05056,CN(C[*])C/C=C/CCO[*] | |
| COc1cc2cc(c1OCCN1CCCC1)CN(C)C/C=C/CCOc1cccc(c1)-c1ccnc(n1)N2,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05059,MCD05059,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cc(cc(NC(=O)C(F)(F)F)c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05060,MCD05060,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cc(N)cc(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05061,MCD05061,CN(C[*])C/C=C/CCO[*] | |
| CCS(=O)(=O)CNc1cc2cc(c1)Nc1nccc(n1)-c1cccc(c1)OCC/C=C/CN(C)C2,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05062,MCD05062,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cc(cc(NC(=O)N3CCOCC3)c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05063,MCD05063,CN(C[*])C/C=C/CCO[*] | |
| Cc1cc2nc(n1)Nc1cccc(c1)CN(C)C/C=C/CCOc1cccc-2c1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05064,MCD05064,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cc(F)cc(c2)-c2ccnc(n2)Nc2cccc(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05065,MCD05065,CN(C[*])C/C=C/CCO[*] | |
| COc1ccc2cc1OCC/C=C/CN(C)Cc1cccc(c1)Nc1nccc-2n1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05066,MCD05066,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/CCOc2cc(ccn2)-c2ccnc(n2)Nc2cccc(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05150,MCD05150,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/COCc2cncc(c2)-c2ccnc(n2)Nc2cccc(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05151,MCD05151,CN(C[*])C/C=C/CCO[*] | |
| CN1C/C=C/COCc2ccc(o2)-c2ccnc(n2)Nc2cccc(c2)C1,LIN0073,"Ether,Amine,Double bond",9,10.3,MCD05153,MCD05153,CN(C[*])C/C=C/CCO[*] | |
| C=CC(=O)Nc1ccc(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/CN(C)C3)cc1,LIN0073,"Ether,Amine,Double bond",9,9.6,MCD00455,MCD00455,CN(C[*])C/C=C/CCO[*] | |
| c1cc2cc(c1)-c1cnc3ccc(nn13)NCCCCCO2,LIN0152,"Ether,Amine,Double bond",8,5.8,MCD00004,MCD00004,[*]NCCCCCO[*] | |
| FC(F)(F)c1cc2cc(c1)OCCCCCNc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)N2,LIN0152,"Ether,Amine,Double bond",8,5.8,MCD08209,MCD08209,[*]NCCCCCO[*] | |
| CN1CCNC(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(C4CNC4)cc1n3n2,LIN0240,"Ether,Amine,Double bond",8,9,MCD00222,MCD00222,CN([*])CCNC(=O)CO[*] | |
| CN1CCNC(=O)COc2ccc(Cl)cc2C(=O)N2CCCCC2c2cc3nc(N4CCC4)cc1n3n2,LIN0240,"Ether,Amine,Double bond",8,9,MCD00223,MCD00223,CN([*])CCNC(=O)CO[*] | |
| CNC1CN(c2cc3n4nc(cc4n2)[C@@H]2CCCCN2C(=O)c2cc(F)ccc2OCC(=O)NCCN3C)C1,LIN0240,"Ether,Amine,Double bond",8,9.7,MCD00257,MCD00257,CN([*])CCNC(=O)CO[*] | |
| CN1CC(=O)NCCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2,LIN0241,"Ether,Amine,Double bond",8,6.3,MCD00225,MCD00225,CN([*])CC(=O)NCCO[*] | |
| CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C/CCCN2,LIN0328,"Ether,Amine,Double bond",9,9.4,MCD00927,MCD00927,[*]NCCC/C=C/CO[*] | |
| CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C\CCCN2,LIN0329,"Ether,Amine,Double bond",9,9.8,MCD00928,MCD00928,[*]NCCC/C=C\CO[*] | |
| FC(F)(F)c1cc2cc(c1)OC/C=C\CCCNc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)N2,LIN0329,"Ether,Amine,Double bond",9,8.5,MCD08203,MCD08203,[*]NCCC/C=C\CO[*] | |
| O=C1NCCOCCNc2ncc(Cl)c(n2)Nc2cc1[nH]n2,LIN0332,"Ether,Amine,Double bond",9,7.2,MCD00933,MCD00933,O=C([*])NCCOCCN[*] | |
| O=C1NCCOCCNc2nc(c3ccccc3n2)Nc2cc1[nH]n2,LIN0332,"Ether,Amine,Double bond",9,7.2,MCD00936,MCD00936,O=C([*])NCCOCCN[*] | |
| O=C1NCCOCCNc2ccn3ncc(c3n2)-c2cccc1c2,LIN0332,"Ether,Amine,Double bond",9,7.2,MCD13114,MCD13114,O=C([*])NCCOCCN[*] | |
| CC1CNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)C/C=C\CO1,LIN0527,"Ether,Amine,Double bond",9,8.9,MCD08208,MCD08208,CC(CN[*])OC/C=C\C[*] | |
| FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOC/C=C\C2,LIN0532,"Ether,Amine,Double bond",9,9.9,MCD08215,MCD08215,[*]C/C=C\COCCN[*] | |
| Fc1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOC/C=C\C2,LIN0532,"Ether,Amine,Double bond",9,9.9,MCD08225,MCD08225,[*]C/C=C\COCCN[*] | |
| Cc1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOC/C=C\C2,LIN0532,"Ether,Amine,Double bond",9,9.9,MCD08227,MCD08227,[*]C/C=C\COCCN[*] | |
| FC(F)(F)c1cccc(-c2nc3nc(n2)Nc2cc(Cl)cc(c2)C/C=C\COCCN3)n1,LIN0532,"Ether,Amine,Double bond",9,9.6,MCD08226,MCD08226,[*]C/C=C\COCCN[*] | |
| CC1(C)CNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)C/C=C\CO1,LIN0535,"Ether,Amine,Double bond",9,9.1,MCD08218,MCD08218,CC(C)(CN[*])OC/C=C\C[*] | |
| FC(F)(F)c1cc2cc(c1)OC/C=C\CCNc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)N2,LIN0536,"Ether,Amine,Double bond",8,8.3,MCD08219,MCD08219,[*]NCC/C=C\CO[*] | |
| CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C\CCN2,LIN0536,"Ether,Amine,Double bond",8,8.1,MCD17913,MCD17913,[*]NCC/C=C\CO[*] | |
| O=C1CCc2cccc(c2)OCCCC/C=C/CCCC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1,LIN0560,"Ether,Amine,Double bond",13,14.5,MCD08448,MCD08448,O=C(CCC/C=C/CCCCO[*])N[*] | |
| CN1CCCN(C)C(=O)COc2cc(ccc2OC2CCOCC2)Nc2ncnc3[nH]cc(c23)C1,LIN0828,"Ether,Amine,Double bond",10,10.9,MCD13108,MCD13108,CN(C[*])CCCN(C)C(=O)CO[*] | |
| CN1CCCN(C)C(=O)COc2cc(ccc2OCC(=O)NC2CCCC2)Nc2ncnc3[nH]cc(c23)C1,LIN0828,"Ether,Amine,Double bond",10,10.9,MCD13109,MCD13109,CN(C[*])CCCN(C)C(=O)CO[*] | |
| CN1CCN(c2ccc3cc2OCC(=O)N(C)CCCN(C)Cc2c[nH]c4ncnc(c24)N3)CC1,LIN0828,"Ether,Amine,Double bond",10,10.9,MCD13110,MCD13110,CN(C[*])CCCN(C)C(=O)CO[*] | |
| CN1CCCN(C)C(=O)COc2cc(ccc2OC2C=COCC2)Nc2ncnc3[nH]cc(c23)C1,LIN0828,"Ether,Amine,Double bond",10,10.9,MCD13111,MCD13111,CN(C[*])CCCN(C)C(=O)CO[*] | |
| CN1CCCN(C)C(=O)COc2cc(ccc2O[C@@H]2C=COCC2)Nc2ncnc3[nH]cc(c23)C1,LIN0828,"Ether,Amine,Double bond",10,10.9,MCD18533,MCD18533,CN(C[*])CCCN(C)C(=O)CO[*] | |
| CN1CCCN(C)C(=O)COc2cc(ccc2OCC(O)=NC2CCCC2)Nc2ncnc3[nH]cc(c23)C1,LIN0828,"Ether,Amine,Double bond",10,10.9,MCD18574,MCD18574,CN(C[*])CCCN(C)C(=O)CO[*] | |
| CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C/CN2,LIN0901,"Ether,Amine,Double bond",7,8.3,MCD17860,MCD17860,[*]NC/C=C/CO[*] | |
| Nc1ccc2cc1OC/C=C/CNc1ncc(-c3ccccn3)c(n1)N2,LIN0901,"Ether,Amine,Double bond",7,8.3,MCD17863,MCD17863,[*]NC/C=C/CO[*] | |
| CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C\CN2,LIN0902,"Ether,Amine,Double bond",7,7.1,MCD17862,MCD17862,[*]NC/C=C\CO[*] | |
| CC(C)NC(=O)c1cnc2nc1Nc1cccc(c1)OC/C=C\CN2,LIN0902,"Ether,Amine,Double bond",7,7.1,MCD17864,MCD17864,[*]NC/C=C\CO[*] | |
| CC(C)N(C)C(=O)c1cnc2nc1Nc1ccc(C#N)c(c1)OC/C=C\CN2,LIN0902,"Ether,Amine,Double bond",7,7.1,MCD17873,MCD17873,[*]NC/C=C\CO[*] | |
| CN1CC(NC(=O)c2cnc3nc2Nc2ccc(C#N)c(c2)OC/C=C\CN3)C1,LIN0902,"Ether,Amine,Double bond",7,7.1,MCD17876,MCD17876,[*]NC/C=C\CO[*] | |
| CN1CCN(c2ccc(NC(=O)c3cnc4nc3Nc3ccc(C#N)c(c3)OC/C=C\CN4)cc2)CC1,LIN0902,"Ether,Amine,Double bond",7,7.1,MCD17880,MCD17880,[*]NC/C=C\CO[*] | |
| CN1CCN(Cc2ccc(NC(=O)c3cnc4nc3Nc3ccc(C#N)c(c3)OC/C=C\CN4)cc2)CC1,LIN0902,"Ether,Amine,Double bond",7,7.1,MCD17881,MCD17881,[*]NC/C=C\CO[*] | |
| CN1CCC(NC(=O)[C@H]2CC[C@H](NC(=O)c3cnc4nc3Nc3ccc(C#N)c(c3)OC/C=C\CN4)CC2)CC1,LIN0902,"Ether,Amine,Double bond",7,7.1,MCD17885,MCD17885,[*]NC/C=C\CO[*] | |
| CCN(CC)CCNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3nc2Nc2ccc(C#N)c(c2)OC/C=C\CN3)CC1,LIN0902,"Ether,Amine,Double bond",7,7.1,MCD17886,MCD17886,[*]NC/C=C\CO[*] | |
| CN1CCC(NC(=O)[C@H]2CC[C@H](NC(=O)c3cnc4nc3Nc3ccc(F)c(c3)OC/C=C\CN4)CC2)CC1,LIN0902,"Ether,Amine,Double bond",7,7.1,MCD17887,MCD17887,[*]NC/C=C\CO[*] | |
| CN1CCC(NC(=O)[C@H]2CC[C@H](NC(=O)c3cnc4nc3Nc3ccc(Cl)c(c3)OC/C=C\CN4)CC2)CC1,LIN0902,"Ether,Amine,Double bond",7,7.1,MCD17888,MCD17888,[*]NC/C=C\CO[*] | |
| CCN(CC)CCNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3nc2Nc2ccc(F)c(c2)OC/C=C\CN3)CC1,LIN0902,"Ether,Amine,Double bond",7,7.1,MCD17891,MCD17891,[*]NC/C=C\CO[*] | |
| Cc1ccc2cc1OC/C=C\CNc1ncc(C(=O)NC(C)C)c(n1)N2,LIN0902,"Ether,Amine,Double bond",7,7,MCD17868,MCD17868,[*]NC/C=C\CO[*] | |
| N#Cc1ccc2cc1OC/C=C\CNc1ncc(C(=O)NC3CCN(C(=O)C4CCOCC4)CC3)c(n1)N2,LIN0902,"Ether,Amine,Double bond",7,7,MCD17883,MCD17883,[*]NC/C=C\CO[*] | |
| N#Cc1ccc2cc1OC/C=C\CNc1ncc(C(=O)N[C@H]3CC[C@H](C(=O)N4CCOCC4)CC3)c(n1)N2,LIN0902,"Ether,Amine,Double bond",7,7,MCD17884,MCD17884,[*]NC/C=C\CO[*] | |
| Cc1ccc2cc1OC/C=C\CNc1ncc(C(=O)N[C@H]3CC[C@H](C(=O)NC4CCN(C)CC4)CC3)c(n1)N2,LIN0902,"Ether,Amine,Double bond",7,7,MCD17889,MCD17889,[*]NC/C=C\CO[*] | |
| COc1ccc2cc1OC/C=C\CNc1ncc(C(=O)N[C@H]3CC[C@H](C(=O)NC4CCN(C)CC4)CC3)c(n1)N2,LIN0902,"Ether,Amine,Double bond",7,7,MCD17890,MCD17890,[*]NC/C=C\CO[*] | |
| CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C/CCN2,LIN0910,"Ether,Amine,Double bond",8,10.2,MCD17912,MCD17912,[*]NCC/C=C/CO[*] | |
| C[C@@H]1C[C@H]2CN1CCn1nc3c(cccc3c1O)-c1nc3c(cccc3nc1O)O2,LIN0045,"Ether,Amine,Ring structure ",7,8.1,MCD03876,MCD03876,C[C@@H]1C[C@H](O[*])CN1CC[*] | |
| C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(cccc3[nH]c1=O)O2,LIN0045,"Ether,Amine,Ring structure ",7,8,MCD18480,MCD18480,C[C@@H]1C[C@H](O[*])CN1CC[*] | |
| Oc1nc2cccc3c2nc1-c1cccc2c(O)n(nc12)CCN1CC[C@@H](C1)O3,LIN0082,"Ether,Amine,Ring structure ",7,7.5,MCD03877,MCD03877,[*]CCN1CC[C@H](O[*])C1 | |
| C[C@H]1C[C@@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(cccc3[nH]c1=O)O2,LIN0188,"Ether,Amine,Ring structure ",7,7.5,MCD00112,MCD00112,C[C@H]1C[C@@H](O[*])CN1CC[*] | |
| CN1CCN2c3nc(F)c(Cl)c(n3)Nc3cc4c(c(c3)OCCOC[C@H]2C1)N(C)C(=O)CC4,LIN0205,"Ether,Amine,Ring structure ",8,8,MCD00151,MCD00151,CN1CCN([*])[C@@H](COCCO[*])C1 | |
| Nc1cc(C2CCNC3CCC(CC3)COc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1,LIN0547,"Ether,Amine,Ring structure ",11,10.7,MCD08301,MCD08301,Nc1cc(C([*])CCNC2CCC(CO[*])CC2)c2nn[nH]c2n1 | |
| CC1CC2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(cccc3[nH]c1=O)O2,LIN0815,"Ether,Amine,Ring structure ",7,7.1,MCD12879,MCD12879,CC1CC(O[*])CN1CC[*] | |
| CN1CCNS(=O)(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2,LIN0251,"Ether,Amine,Sulfonamide",8,8.1,MCD00250,MCD00250,CN([*])CCNS(=O)(=O)CO[*] | |
| N#Cc1ncc2nc1OCC/C=C\COc1ccc(O)cc1NC(=O)N2,LIN0061,"Ether,Double bond",8,8.8,MCD04034,MCD04034,[*]OC/C=C\CCO[*] | |
| N#Cc1ncc2nc1OCC/C=C\COc1ccc(OCCO)cc1NC(=O)N2,LIN0061,"Ether,Double bond",8,8.8,MCD04054,MCD04054,[*]OC/C=C\CCO[*] | |
| Cc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCC/C=C\CO2,LIN0061,"Ether,Double bond",8,8.8,MCD04060,MCD04060,[*]OC/C=C\CCO[*] | |
| N#Cc1ncc2nc1OCC/C=C\COc1ccc(Cl)cc1NC(=O)N2,LIN0061,"Ether,Double bond",8,8.8,MCD04061,MCD04061,[*]OC/C=C\CCO[*] | |
| N#Cc1ncc2nc1OCC/C=C\COc1ccccc1NC(=O)N2,LIN0061,"Ether,Double bond",8,8.8,MCD04062,MCD04062,[*]OC/C=C\CCO[*] | |
| CC(=O)Nc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCC/C=C\CO2,LIN0061,"Ether,Double bond",8,8.8,MCD04064,MCD04064,[*]OC/C=C\CCO[*] | |
| N#Cc1ncc2nc1OCC/C=C\COc1ccc(OCCCCCN3CCOCC3)cc1NC(=O)N2,LIN0061,"Ether,Double bond",8,8.8,MCD04065,MCD04065,[*]OC/C=C\CCO[*] | |
| N#Cc1ncc2nc1OCC/C=C\COc1ccc(OCCCCN3CCOCC3)cc1NC(=O)N2,LIN0061,"Ether,Double bond",8,8.8,MCD04066,MCD04066,[*]OC/C=C\CCO[*] | |
| N#Cc1ncc2nc1OCC/C=C\COc1ccc(OCCCN3CCOCC3)cc1NC(=O)N2,LIN0061,"Ether,Double bond",8,8.8,MCD04067,MCD04067,[*]OC/C=C\CCO[*] | |
| CCOc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCC/C=C\CO2,LIN0061,"Ether,Double bond",8,8.8,MCD04068,MCD04068,[*]OC/C=C\CCO[*] | |
| COc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCC/C=C\CO2,LIN0061,"Ether,Double bond",8,8.8,MCD04069,MCD04069,[*]OC/C=C\CCO[*] | |
| CN(C)CCOc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCC/C=C\CO2,LIN0061,"Ether,Double bond",8,8.8,MCD04070,MCD04070,[*]OC/C=C\CCO[*] | |
| N#Cc1ncc2nc1OCC/C=C\COc1ccc(Br)cc1NC(=O)N2,LIN0061,"Ether,Double bond",8,8.5,MCD04063,MCD04063,[*]OC/C=C\CCO[*] | |
| C1=CCOc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC1,LIN0062,"Ether,Double bond",8,10.1,MCD05269,MCD05269,[*]OC/C=C/CCO[*] | |
| Nc1cc2c(cc1Cl)NC(=O)Nc1cncc(n1)OCC/C=C/CO2,LIN0062,"Ether,Double bond",8,9.3,MCD10424,MCD10424,[*]OC/C=C/CCO[*] | |
| C1=CCCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)OCC1,LIN0074,"Ether,Double bond",9,8.2,MCD05270,MCD05270,[*]OCC/C=C/CCO[*] | |
| Cc1cc(N)nc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCC/C=C/CCO2,LIN0074,"Ether,Double bond",9,8.2,MCD06535,MCD06535,[*]OCC/C=C/CCO[*] | |
| O=C1Cc2cccc(c2)OCC/C=C/CCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1,LIN0074,"Ether,Double bond",9,8.2,MCD08442,MCD08442,[*]OCC/C=C/CCO[*] | |
| COc1ccc2cc1COCC=CCOc1cccc(c1)-c1ccnc(n1)N2,LIN0077,"Ether,Double bond",8,7.5,MCD05267,MCD05267,[*]COC/C=C\CO[*] | |
| N#Cc1ncc2nc1OC/C=C\COc1ccc(Cl)cc1NC(=O)N2,LIN0078,"Ether,Double bond",7,7,MCD04038,MCD04038,[*]OC/C=C\CO[*] | |
| N#Cc1ncc2nc1OC/C=C\COc1ccc(OCCCCCN3CCCOC3)cc1NC(=O)N2,LIN0078,"Ether,Double bond",7,7,MCD04039,MCD04039,[*]OC/C=C\CO[*] | |
| N#Cc1ncc2nc1OC/C=C\COc1cc(NC(=O)OCCN3CCOCC3)c(Cl)cc1NC(=O)N2,LIN0078,"Ether,Double bond",7,7,MCD04147,MCD04147,[*]OC/C=C\CO[*] | |
| C[C@H](N)C(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OC/C=C\CO2,LIN0078,"Ether,Double bond",7,7,MCD04148,MCD04148,[*]OC/C=C\CO[*] | |
| N#Cc1ncc2nc1OC/C=C\COc1cc(N(CCO)CCO)c(Cl)cc1NC(=O)N2,LIN0078,"Ether,Double bond",7,7,MCD04153,MCD04153,[*]OC/C=C\CO[*] | |
| CNc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OC/C=C\CO2,LIN0078,"Ether,Double bond",7,7,MCD04154,MCD04154,[*]OC/C=C\CO[*] | |
| CN(C)c1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OC/C=C\CO2,LIN0078,"Ether,Double bond",7,7,MCD04155,MCD04155,[*]OC/C=C\CO[*] | |
| N#Cc1ncc2nc1OC/C=C\COc1cc(N)c(Cl)cc1NC(=O)N2,LIN0078,"Ether,Double bond",7,7,MCD04156,MCD04156,[*]OC/C=C\CO[*] | |
| COCCn1cnc2c1-c1ccc(OC)c(c1)OC/C=C\COc1cccc-2c1,LIN0078,"Ether,Double bond",7,7,MCD17315,MCD17315,[*]OC/C=C\CO[*] | |
| OC1=NCCc2cccc(c2)OC/C=C\COc2cccc(c2)-c2nc(O)c(O)c1n2,LIN0078,"Ether,Double bond",7,7,MCD18484,MCD18484,[*]OC/C=C\CO[*] | |
| C1=C/COc2ccc(o2)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)COC/1,LIN0080,"Ether,Double bond",8,8.1,MCD07144,MCD07144,[*]COC/C=C/CO[*] | |
| O=C1Nc2cccc(n2)-c2nncn2C/C=C/COc2c(Br)cccc21,LIN0081,"Ether,Double bond",6,6.9,MCD07481,MCD07481,[*]C/C=C/CO[*] | |
| Fc1ccc2cc1COCC=CCOCc1cc(ccc1OCCN1CCCC1)Nc1nccc-2n1,LIN0095,"Ether,Double bond",9,10.7,MCD05242,MCD05242,[*]COC/C=C\COC[*] | |
| COc1ccc2cc1COCC=CCOCc1cc(ccc1OCCN1CCCC1)Nc1nccc-2n1,LIN0095,"Ether,Double bond",9,10.7,MCD05243,MCD05243,[*]COC/C=C\COC[*] | |
| Fc1cc2cc(c1)-c1ccnc(n1)Nc1ccc(OCCN3CCCC3)c(c1)COCC=CCOC2,LIN0095,"Ether,Double bond",9,10.7,MCD05244,MCD05244,[*]COC/C=C\COC[*] | |
| COc1ccc2cc1-c1ccnc(n1)Nc1ccc(OCCN3CCCC3)c(c1)COCC=CCOC2,LIN0095,"Ether,Double bond",9,10.7,MCD05245,MCD05245,[*]COC/C=C\COC[*] | |
| COc1cc2cc(c1OCCN1CCCC1)COCC=CCOCc1cccc(c1)-c1ccnc(n1)N2,LIN0095,"Ether,Double bond",9,10.7,MCD05248,MCD05248,[*]COC/C=C\COC[*] | |
| C1=CCOCc2cccc(c2)-c2ccnc(n2)Nc2cc(cc(OCCN3CCOCC3)c2)COC1,LIN0095,"Ether,Double bond",9,10.7,MCD05251,MCD05251,[*]COC/C=C\COC[*] | |
| C1=CCOCc2cccc(c2)-c2ccnc(n2)Nc2cc(cc(OCCN3CCCC3)c2)COC1,LIN0095,"Ether,Double bond",9,10.7,MCD05252,MCD05252,[*]COC/C=C\COC[*] | |
| O=C1CCN(CCOc2ccc3cc2COCC=CCOCc2cccc(c2)-c2ccnc(n2)N3)C1,LIN0095,"Ether,Double bond",9,10.7,MCD05253,MCD05253,[*]COC/C=C\COC[*] | |
| O=C1CCCN1CCOc1ccc2cc1COCC=CCOCc1cccc(c1)-c1ccnc(n1)N2,LIN0095,"Ether,Double bond",9,10.7,MCD05254,MCD05254,[*]COC/C=C\COC[*] | |
| CCN(CC)CCOc1ccc2cc1COCC=CCOCc1cccc(c1)-c1ccnc(n1)N2,LIN0095,"Ether,Double bond",9,10.7,MCD05256,MCD05256,[*]COC/C=C\COC[*] | |
| ClCCOc1ccc2cc1COCC=CCOCc1cccc(c1)-c1ccnc(n1)N2,LIN0095,"Ether,Double bond",9,10.7,MCD05257,MCD05257,[*]COC/C=C\COC[*] | |
| CN(C)CCN(C)c1ccc2cc1COCC=CCOCc1cccc(c1)-c1ccnc(n1)N2,LIN0095,"Ether,Double bond",9,10.7,MCD05258,MCD05258,[*]COC/C=C\COC[*] | |
| CCS(=O)(=O)N1CCN(c2ccc3cc2COCC=CCOCc2cccc(c2)-c2ccnc(n2)N3)CC1,LIN0095,"Ether,Double bond",9,10.7,MCD05259,MCD05259,[*]COC/C=C\COC[*] | |
| CC(=O)N1CCN(c2ccc3cc2COCC=CCOCc2cccc(c2)-c2ccnc(n2)N3)CC1,LIN0095,"Ether,Double bond",9,10.7,MCD05260,MCD05260,[*]COC/C=C\COC[*] | |
| OCCN1CCN(c2ccc3cc2COCC=CCOCc2cccc(c2)-c2ccnc(n2)N3)CC1,LIN0095,"Ether,Double bond",9,10.7,MCD05261,MCD05261,[*]COC/C=C\COC[*] | |
| CN1CCN(c2ccc3cc2COCC=CCOCc2cccc(c2)-c2ccnc(n2)N3)CC1,LIN0095,"Ether,Double bond",9,10.7,MCD05262,MCD05262,[*]COC/C=C\COC[*] | |
| Oc1ccc2cc1COCC=CCOCc1cccc(c1)-c1ccnc(n1)N2,LIN0095,"Ether,Double bond",9,10.7,MCD05265,MCD05265,[*]COC/C=C\COC[*] | |
| C1=N/C2=N/c3ccc(OCCN4CCCC4)c(c3)COC/C=C\COCc3cccc(c3)C(=C1)N2,LIN0095,"Ether,Double bond",9,10.7,MCD13398,MCD13398,[*]COC/C=C\COC[*] | |
| COc1ccc2cc1COCC=CCOCc1cccc(c1)-c1ccnc(n1)N2,LIN0096,"Ether,Double bond",9,8.9,MCD05266,MCD05266,[*]COCC=CCOC[*] | |
| C1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC1,LIN0096,"Ether,Double bond",9,8.9,MCD05241,MCD05241,[*]COCC=CCOC[*] | |
| COc1ccc2cc1COCC=CCCOc1cccc(c1)-c1ccnc(n1)N2,LIN0100,"Ether,Double bond",9,10,MCD05268,MCD05268,[*]COC/C=C/CCO[*] | |
| C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2ccnc(c2)OCC/1,LIN0100,"Ether,Double bond",9,10,MCD05158,MCD05158,[*]COC/C=C/CCO[*] | |
| Cc1cnc2nc1-c1ccnc(c1)OCC/C=C/COCc1cc(ccc1OCCN1CCCC1)N2,LIN0100,"Ether,Double bond",9,10,MCD05159,MCD05159,[*]COC/C=C/CCO[*] | |
| C1=C/COCc2cncc(c2)-c2ccnc(n2)Nc2cccc(c2)COC/1,LIN0101,"Ether,Double bond",9,10.7,MCD05152,MCD05152,[*]COC/C=C/COC[*] | |
| C1=C/COCc2ccc(o2)-c2ccnc(n2)Nc2cccc(c2)COC/1,LIN0101,"Ether,Double bond",9,10.7,MCD05154,MCD05154,[*]COC/C=C/COC[*] | |
| C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cncc(c2)COC/1,LIN0101,"Ether,Double bond",9,10.7,MCD05157,MCD05157,[*]COC/C=C/COC[*] | |
| Fc1cnc2nc1-c1cccc(c1)COCC=CCOCc1cc(ccc1OCCN1CCCC1)N2,LIN0101,"Ether,Double bond",9,10.7,MCD05246,MCD05246,[*]COC/C=C/COC[*] | |
| Cc1cnc2nc1-c1cccc(c1)COCC=CCOCc1cc(ccc1OCCN1CCCC1)N2,LIN0101,"Ether,Double bond",9,10.7,MCD05247,MCD05247,[*]COC/C=C/COC[*] | |
| CCN(CC)CCC(=O)Nc1cc2cc(c1)Nc1nccc(n1)-c1cccc(c1)COCC=CCOC2,LIN0101,"Ether,Double bond",9,10.7,MCD05249,MCD05249,[*]COC/C=C/COC[*] | |
| Nc1cc2cc(c1)Nc1nccc(n1)-c1cccc(c1)COCC=CCOC2,LIN0101,"Ether,Double bond",9,10.7,MCD05250,MCD05250,[*]COC/C=C/COC[*] | |
| C1=CCOCc2cc(ccc2OCCN2CCCCC2)Nc2nccc(n2)-c2cccc(c2)COC1,LIN0101,"Ether,Double bond",9,10.7,MCD05255,MCD05255,[*]COC/C=C/COC[*] | |
| C1=CCOCc2cc(ccc2N2CCNCC2)Nc2nccc(n2)-c2cccc(c2)COC1,LIN0101,"Ether,Double bond",9,10.7,MCD05263,MCD05263,[*]COC/C=C/COC[*] | |
| C1=CCOCc2cc(ccc2N2CCOCC2)Nc2nccc(n2)-c2cccc(c2)COC1,LIN0101,"Ether,Double bond",9,10.7,MCD05264,MCD05264,[*]COC/C=C/COC[*] | |
| O=C(O)CCCCCCC(=O)Nc1ccc(NCCOc2ccc3cc2COC/C=C/COCc2cccc(c2)-c2ccnc(n2)N3)cc1,LIN0101,"Ether,Double bond",9,10.7,MCD06538,MCD06538,[*]COC/C=C/COC[*] | |
| O=C(O)CCCOc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2,LIN0101,"Ether,Double bond",9,10.7,MCD06539,MCD06539,[*]COC/C=C/COC[*] | |
| O=C(O)CCCCCCOc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2,LIN0101,"Ether,Double bond",9,10.7,MCD06540,MCD06540,[*]COC/C=C/COC[*] | |
| O=C(NO)c1ccc(NCCOc2ccc3cc2COC/C=C/COCc2cccc(c2)-c2ccnc(n2)N3)cc1,LIN0101,"Ether,Double bond",9,10.7,MCD06541,MCD06541,[*]COC/C=C/COC[*] | |
| O=C(CCCCCC(=O)Nc1ccc(NCCOc2ccc3cc2COC/C=C/COCc2cccc(c2)-c2ccnc(n2)N3)cc1)NO,LIN0101,"Ether,Double bond",9,10.7,MCD06545,MCD06545,[*]COC/C=C/COC[*] | |
| O=C(CCCCCCC(=O)Nc1ccc(NCCOc2ccc3cc2COC/C=C/COCc2cccc(c2)-c2ccnc(n2)N3)cc1)NO,LIN0101,"Ether,Double bond",9,10.7,MCD06546,MCD06546,[*]COC/C=C/COC[*] | |
| O=C(CCCOc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2)NO,LIN0101,"Ether,Double bond",9,10.7,MCD06547,MCD06547,[*]COC/C=C/COC[*] | |
| O=C(CCCCOc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2)NO,LIN0101,"Ether,Double bond",9,10.7,MCD06548,MCD06548,[*]COC/C=C/COC[*] | |
| O=C(O)CCCCCOc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2,LIN0101,"Ether,Double bond",9,10.7,MCD06552,MCD06552,[*]COC/C=C/COC[*] | |
| O=C(O)CCCCCCCOc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2,LIN0101,"Ether,Double bond",9,10.7,MCD06553,MCD06553,[*]COC/C=C/COC[*] | |
| O=C(O)CCCCOc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2,LIN0101,"Ether,Double bond",9,10.7,MCD00199,MCD00199,[*]COC/C=C/COC[*] | |
| C1=N/C2=N/c3ccc(OCCN4CCCC4)c(c3)COC/C=C/COCc3cccc(c3)C(=C1)N2,LIN0101,"Ether,Double bond",9,10.7,MCD00202,MCD00202,[*]COC/C=C/COC[*] | |
| O=C(O)CCCCCC(=O)Nc1ccc(NCCOc2ccc3cc2COC/C=C/COCc2cccc(c2)-c2ccnc(n2)N3)cc1,LIN0101,"Ether,Double bond",9,10.7,MCD14763,MCD14763,[*]COC/C=C/COC[*] | |
| C1=C/Cn2ccc3ccc(cc32)-c2ccnc(n2)Nc2cccc(c2)COC/1,LIN0143,"Ether,Double bond",7,8,MCD05149,MCD05149,[*]C/C=C/COC[*] | |
| C1=C/Cn2ccc3ccc(cc32)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)COC/1,LIN0143,"Ether,Double bond",7,8,MCD05155,MCD05155,[*]C/C=C/COC[*] | |
| Cc1cnc2nc1-c1ccc3ccn(c3c1)C/C=C/COCc1cc(ccc1OCCN1CCCC1)N2,LIN0143,"Ether,Double bond",7,8,MCD05156,MCD05156,[*]C/C=C/COC[*] | |
| Cn1c2cnc1OCC/C=C\CCCCOc1ccccc1-2,LIN0151,"Ether,Double bond",11,9.5,MCD00003,MCD00003,[*]OCC/C=C\CCCCO[*] | |
| O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C/COc2ccc([N+](=O)[O-])c1c2,LIN0182,"Ether,Double bond",7,8.2,MCD00095,MCD00095,[*]OC/C=C/CO[*] | |
| O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C/COc2cc(C(F)(F)F)c1cn2,LIN0182,"Ether,Double bond",7,8.2,MCD00097,MCD00097,[*]OC/C=C/CO[*] | |
| COc1ccc2c(c1)C(=O)N[C@H](C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OC/C=C/CO2,LIN0182,"Ether,Double bond",7,8.2,MCD06766,MCD06766,[*]OC/C=C/CO[*] | |
| CC(C)(C)OC(=O)N1CC(c2ccc3c(c2)C(=O)N[C@H](C(=O)NC2(C#N)CC2)Cc2ccc(c(Cl)c2)OC/C=C/CO3)C1,LIN0182,"Ether,Double bond",7,8.2,MCD06787,MCD06787,[*]OC/C=C/CO[*] | |
| N#Cc1ccc2c(c1)C(=O)N[C@H](C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OC/C=C/CO2,LIN0182,"Ether,Double bond",7,8.2,MCD06788,MCD06788,[*]OC/C=C/CO[*] | |
| CSc1ccc2c(c1)C(=O)N[C@H](C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OC/C=C/CO2,LIN0182,"Ether,Double bond",7,8.2,MCD06795,MCD06795,[*]OC/C=C/CO[*] | |
| O=C1Cc2cccc(c2)OC/C=C/COc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1,LIN0182,"Ether,Double bond",7,8.2,MCD08433,MCD08433,[*]OC/C=C/CO[*] | |
| O=C1Cc2ccc(cc2)OC/C=C/COc2ccc(cc2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1,LIN0182,"Ether,Double bond",7,8.2,MCD08437,MCD08437,[*]OC/C=C/CO[*] | |
| O=C1Cc2cccc(c2)OC/C=C/COc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1,LIN0182,"Ether,Double bond",7,8.2,MCD08441,MCD08441,[*]OC/C=C/CO[*] | |
| CS(=O)(=O)c1ccc2c(c1)C(=O)N[C@H](C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OC/C=C/CO2,LIN0182,"Ether,Double bond",7,8.2,MCD12134,MCD12134,[*]OC/C=C/CO[*] | |
| Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCC/C=C/CCCO2,LIN0481,"Ether,Double bond",10,10.5,MCD06530,MCD06530,[*]OCC/C=C/CCCO[*] | |
| Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCCC/C=C/CCO2,LIN0481,"Ether,Double bond",10,10.8,MCD06533,MCD06533,[*]OCC/C=C/CCCO[*] | |
| Cc1[nH]c(=N)cc2c1CN=C(O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCCC/C=C/CCO2,LIN0481,"Ether,Double bond",10,10.8,MCD18595,MCD18595,[*]OCC/C=C/CCCO[*] | |
| Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCCCC=CCCO2,LIN0482,"Ether,Double bond",10,8.3,MCD06532,MCD06532,[*]OCCC=CCCCO[*] | |
| Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCCC/C=C\CCO2,LIN0483,"Ether,Double bond",10,8.9,MCD06534,MCD06534,[*]OCC/C=C\CCCO[*] | |
| Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCC/C=C\CCO2,LIN0484,"Ether,Double bond",9,6.3,MCD06537,MCD06537,[*]OCC/C=C\CCO[*] | |
| CN(C)CCC(O)(c1cccc(Br)c1)C1c2cc3ccccc3nc2OCC/C=C\CCOc2nc3ccccc3cc21,LIN0484,"Ether,Double bond",9,6.3,MCD16495,MCD16495,[*]OCC/C=C\CCO[*] | |
| O=C1Cc2cccc(c2)OCCC/C=C/CCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1,LIN0556,"Ether,Double bond",11,13.1,MCD08435,MCD08435,[*]OCCC/C=C/CCCO[*] | |
| O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1C/C=C/CCOc2ccccc2-n2cnc1n2,LIN0647,"Ether,Double bond",8,7.9,MCD11600,MCD11600,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CCO[*] | |
| COC(=O)Nc1ccc2c(c1)OCCC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,LIN0740,"Ether,Double bond",9,4.4,MCD12002,MCD12002,O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]([*])C/C=C/CCCO[*] | |
| O=C1NCCc2cccc(c2)OCC=CCOc2cccc(c2)-c2nc1c(O)c(=O)[nH]2,LIN0832,"Ether,Double bond",7,8.2,MCD13197,MCD13197,[*]OCC=CCO[*] | |
| C1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)OCC1,LIN0900,"Ether,Double bond",9,9.8,MCD17847,MCD17847,[*]COCC=CCCO[*] | |
| N#C[C@]1(C2CC2)C(=O)N2C[C@H]1COC/C=C\COCc1cccc(n1)Nc1cc2ccn1,LIN0097,"Ether,Double bond,Ring structure ",12,11.9,MCD08107,MCD08107,N#C[C@]1(C2CC2)C(=O)N([*])C[C@H]1COC/C=C\COC[*] | |
| N#C[C@]1(C2CC2)C(=O)N2C[C@H]1COC/C=C/COCc1cccc(n1)Nc1cc2ccn1,LIN0098,"Ether,Double bond,Ring structure ",12,11.1,MCD08108,MCD08108,N#C[C@]1(C2CC2)C(=O)N([*])C[C@H]1COC/C=C/COC[*] | |
| N#Cc1cnn2c3cc(nc12)N1CC(CC1CO)OCC=CCOc1cc(cc2c1NC(=O)CC2)N3,LIN0286,"Ether,Double bond,Ring structure ",10,10,MCD00357,MCD00357,OCC1CC(OCC=CCO[*])CN1[*] | |
| CCCN(c1cc2cc(c1)C(=O)N[C@@H](c1ccc(F)cc1)CCc1cccc(c1)C[C@@](C)(N)COC2)S(C)(=O)=O,LIN0384,"Ether,Double bond,Ring structure ",6,6.6,MCD04098,MCD04098,O=C([*])N[C@H](CC[*])c1ccc(F)cc1 | |
| N#Cc1cnn2c3cc(nc12)N1C[C@H](C[C@H]1CC(=O)O)OC/C=C/COc1cc(cc2c1NC(=O)CC2)N3,LIN0489,"Ether,Double bond,Ring structure ",10,7.6,MCD06837,MCD06837,O=C(O)C[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| O=C(O)C[C@@H]1C[C@H]2CN1c1cc(n3ncc(Cl)c3n1)Nc1cc3c(c(c1)OC/C=C/CO2)N(CC1CC(F)(F)C1)C(=O)CC3,LIN0489,"Ether,Double bond,Ring structure ",10,7.6,MCD06852,MCD06852,O=C(O)C[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| N#Cc1cnn2c3cc(nc12)N1C[C@H](C[C@H]1CO)OC/C=C/COc1cc(cc2c1NC(=O)CC2)N3,LIN0490,"Ether,Double bond,Ring structure ",10,11.5,MCD06838,MCD06838,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| N#Cc1cnn2c3cc(nc12)N1C[C@H](C[C@H]1CO)OC/C=C/COc1cccc(c1)N3,LIN0490,"Ether,Double bond,Ring structure ",10,11.5,MCD06844,MCD06844,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| N#Cc1cnn2c3cc(nc12)N1C[C@H](C[C@H]1CO)OC/C=C/COc1cc(cc2c1N=C(O)CC2)N3,LIN0490,"Ether,Double bond,Ring structure ",10,11.5,MCD18547,MCD18547,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| O=C1CCc2cc3cc(c2N1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3,LIN0490,"Ether,Double bond,Ring structure ",10,10.9,MCD06848,MCD06848,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| CN1C(=O)CCc2cc3cc(c21)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3,LIN0490,"Ether,Double bond,Ring structure ",10,10.9,MCD06849,MCD06849,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| O=C1CCc2cc3cc(c2N1CC1CC1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3,LIN0490,"Ether,Double bond,Ring structure ",10,10.9,MCD06850,MCD06850,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| O=C1CCc2cc3cc(c2N1CC1CC(F)(F)C1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3,LIN0490,"Ether,Double bond,Ring structure ",10,10.9,MCD06851,MCD06851,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| O=C1CCc2cc3cc(c2N1CCCN1CCOCC1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3,LIN0490,"Ether,Double bond,Ring structure ",10,10.9,MCD06853,MCD06853,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| O=C1CCc2cc3cc(c2N1Cc1ccccc1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3,LIN0490,"Ether,Double bond,Ring structure ",10,10.9,MCD06854,MCD06854,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| COc1cccc(CN2C(=O)CCc3cc4cc(c32)OC/C=C/CO[C@H]2C[C@@H](CO)N(C2)c2cc(n3ncc(Cl)c3n2)N4)c1,LIN0490,"Ether,Double bond,Ring structure ",10,10.9,MCD06855,MCD06855,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| COc1cccc(CN2C(=O)CCc3cc4cc(c32)OC/C=C/CO[C@H]2C[C@@H](CO)N(C2)c2cc(n3ncc(C#N)c3n2)N4)c1,LIN0490,"Ether,Double bond,Ring structure ",10,10.9,MCD06856,MCD06856,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| Cc1ccccc1CN1C(=O)CCc2cc3cc(c21)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3,LIN0490,"Ether,Double bond,Ring structure ",10,10.9,MCD06857,MCD06857,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| Cc1ccc(CN2C(=O)CCc3cc4cc(c32)OC/C=C/CO[C@H]2C[C@@H](CO)N(C2)c2cc(n3ncc(Cl)c3n2)N4)cc1,LIN0490,"Ether,Double bond,Ring structure ",10,10.9,MCD06858,MCD06858,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| O=C1CCc2cc3cc(c2N1Cc1ccncc1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3,LIN0490,"Ether,Double bond,Ring structure ",10,10.9,MCD06859,MCD06859,OC[C@@H]1C[C@H](OC/C=C/CO[*])CN1[*] | |
| N#Cc1cnn2c3cc(nc12)N1CC[C@@H](C1)OC/C=C/COc1cc(cc2c1NC(=O)CC2)N3,LIN0491,"Ether,Double bond,Ring structure ",10,10.6,MCD06839,MCD06839,[*]OC/C=C/CO[C@H]1CCN([*])C1 | |
| N#Cc1cnn2c3cc(nc12)N1CC[C@@H](C1)OC/C=C/COc1cccc(c1)N3,LIN0491,"Ether,Double bond,Ring structure ",10,10.6,MCD06842,MCD06842,[*]OC/C=C/CO[C@H]1CCN([*])C1 | |
| N#Cc1cnn2c3cc(nc12)N1CC[C@H](OC/C=C/COc2cccc(c2)N3)[C@H]1CO,LIN0494,"Ether,Double bond,Ring structure ",10,11.7,MCD06843,MCD06843,OC[C@@H]1[C@@H](OC/C=C/CO[*])CCN1[*] | |
| O=C1CCc2cc3cc(c2N1)OCCCCO[C@H]1C[C@@H](CO)N(C1)c1cc(n2nccc2n1)N3,LIN0495,"Ether,Double bond,Ring structure ",10,9.3,MCD06846,MCD06846,OC[C@@H]1C[C@H](OCCCCO[*])CN1[*] | |
| O=C1CCc2cc3cc(c2N1)OCCCCO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3,LIN0495,"Ether,Double bond,Ring structure ",10,9.3,MCD06847,MCD06847,OC[C@@H]1C[C@H](OCCCCO[*])CN1[*] | |
| O=C1OCCOc2cc(F)ccc2Nc2ncnc3[nH]c4c(c23)CC1CC4,LIN0014,"Ether,Ester",6,6.3,MCD05633,MCD05633,O=C([*])OCCO[*] | |
| COc1ccc2cc1Oc1ccc(cc1)/C=C\COC(=O)CC2,LIN0897,"Ether,Ester",8,8.6,MCD16149,MCD16149,O=C(CC[*])OC/C=C\[*] | |
| N#Cc1cnn2c3cc(nc12)N1CC[C@@H](C1)OCCCCOc1cc(cc2c1NC(=O)CC2)N3,LIN0493,"Ether,Ring structure ",10,9.5,MCD06841,MCD06841,[*]OCCCCO[C@H]1CCN([*])C1 | |
| N#Cc1cnn2c3cc(nc12)N1C[C@H](C[C@H]1CO)OCCCCOc1cc(cc2c1NC(=O)CC2)N3,LIN0495,"Ether,Ring structure ",10,9.7,MCD06845,MCD06845,OC[C@@H]1C[C@H](OCCCCO[*])CN1[*] | |
| CCN1C(=O)N[C@@H](CCC(C)(F)F)CCOCCOc2nc(cc3ccnn23)-c2ccnc(c2)[C@H]1C,LIN0238,"Ether,Urea",12,10,MCD00218,MCD00218,CCN(C(=O)N[C@H](CCOCCO[*])CCC(C)(F)F)[C@H](C)[*] | |
| CCN1C(=O)N[C@@H](CCC(C)(F)F)CCOCCOc2nc(cc3ccnn23)-c2cc(ncc2OC)[C@H]1C,LIN0238,"Ether,Urea",12,10,MCD00234,MCD00234,CCN(C(=O)N[C@H](CCOCCO[*])CCC(C)(F)F)[C@H](C)[*] | |
| CCN1C(=O)N[C@@H](C)CCCC2(CCOCC2)COc2nc(cn3ccnc23)-c2cc(ncc2OC)[C@H]1C,LIN0242,"Ether,Urea",12,10.9,MCD00229,MCD00229,CCN(C(=O)N[C@@H](C)CCCC1(CO[*])CCOCC1)[C@H](C)[*] | |
| CCN1C(=O)N[C@@H](c2cnc(C)s2)CCCCCOc2nc(cn3ccnc23)-c2cc(ncc2OC)[C@H]1C,LIN0243,"Ether,Urea",12,12.1,MCD00231,MCD00231,CCN(C(=O)N[C@H](CCCCCO[*])c1cnc(C)s1)[C@H](C)[*] | |
| CCN1C(=O)N[C@@H](CCC(C)(F)F)COCCCOc2nc(cc3ccnn23)-c2cc(ncc2OC)[C@H]1C,LIN0244,"Ether,Urea",12,11.9,MCD00233,MCD00233,CCN(C(=O)N[C@@H](CCC(C)(F)F)COCCCO[*])[C@H](C)[*] | |
| CCN1C(=O)N[C@@H](CCC(F)(F)F)CCOCCOc2nc(cc3ccnn23)-c2cc(ncc2OC)[C@H]1C,LIN0245,"Ether,Urea",12,12.2,MCD00236,MCD00236,CCN(C(=O)N[C@H](CCOCCO[*])CCC(F)(F)F)[C@H](C)[*] | |
| CN(C)c1cc2cc(n1)CCCn1cc(c3ccccc31)C1=C(C(=O)NC1=O)c1cn(c3ccccc13)CCC2,LIN0033,Ring structure ,10,10.5,MCD04075,MCD04075,CN(C)c1cc(CCC[*])cc(CCC[*])n1 | |
| O=C1NC(=O)C2=C1c1cn(c3ncccc13)CCCc1ccc(s1)CCCn1cc2c2cccnc21,LIN0122,Ring structure ,10,10.6,MCD04729,MCD04729,[*]CCCc1ccc(CCC[*])s1 | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCCc1ccc(c(N3CCCC3)n1)CCCCn1cc2c2ccccc21,LIN0123,Ring structure ,10,11.9,MCD04080,MCD04080,[*]CCCc1cc(CCC[*])nc(N2CCCC2)c1 | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCc1ccc(c(N3CCCC3)n1)CCCn1cc2c2ccccc21,LIN0124,Ring structure ,11,12.2,MCD04078,MCD04078,[*]CCCc1ccc(CCC[*])c(N2CCCC2)n1 | |
| O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCc1cc(nc(N3CCCC3)c1)CCCn1cc2c2ccccc21,LIN0124,Ring structure ,11,12.2,MCD04079,MCD04079,[*]CCCc1ccc(CCC[*])c(N2CCCC2)n1 | |
| CN(C)c1nc2ccc1CCCCn1cc(c3ccccc31)C1=C(C(=O)NC1=O)c1cn(c3ccccc13)CCC2,LIN0125,Ring structure ,12,12.8,MCD07066,MCD07066,CN(C)c1nc(CCC[*])ccc1CCCC[*] | |
| CN(C)c1nc2ccc1CCCCn1cc(c3ccccc31)C1=C(C(=O)N=C1O)c1cn(c3ccccc13)CCC2,LIN0125,Ring structure ,12,10.2,MCD18632,MCD18632,CN(C)c1nc(CCC[*])ccc1CCCC[*] | |
| CN(C)c1nc2ccc1CCCn1cc(c3ccccc31)C1=C(C(=O)NC1=O)c1cn(c3ccccc13)CCC2,LIN0126,Ring structure ,11,11.8,MCD04077,MCD04077,CN(C)c1nc(CCC[*])ccc1CCC[*] | |
| CN(C)c1nc2ccc1CCCN1C=C(C3=C(C(=O)NC3=O)c3cn(c4ccccc34)CCC2)N2C=CC=CC12,LIN0126,Ring structure ,11,11.8,MCD04589,MCD04589,CN(C)c1nc(CCC[*])ccc1CCC[*] | |
| CN(C)c1nc2ccc1CCCn1cc(c3ccccc31)C1=C(C(=O)NC1=O)c1cn(c3ccccc13)CC2,LIN0127,Ring structure ,10,11.1,MCD04076,MCD04076,CN(C)c1nc(CCC[*])ccc1CC[*] | |
| CN(c1cc2cc(n1)CCC(c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O,LIN0380,Ring structure ,6,6.6,MCD04027,MCD04027,[*]CCC(CC[*])c1ccccc1 | |
| Nc1cc([C@H]2CCN[C@H]3C[C@H](Cc4ccccc4)[C@@H](C3)Oc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1,LIN0550,Ring structure ,9,8.2,MCD08305,MCD08305,Nc1cc([C@H]([*])CCN[C@H]2C[C@H](Cc3ccccc3)[C@H](O[*])C2)c2nn[nH]c2n1 | |
| N=c1cc([C@H]2CCN[C@H]3C[C@H](Cc4ccccc4)[C@@H](C3)Oc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2[nH]1,LIN0939,Ring structure ,9,9.2,MCD18592,MCD18592,N=c1cc([C@H]([*])CCN[C@H]2C[C@H](Cc3ccccc3)[C@H](O[*])C2)c2nn[nH]c2[nH]1 | |
| O=S1(=O)Nc2cccc(c2)CNc2nc(ncc2Cl)Nc2cccc1c2,LIN0004,Sulfonamide,3,4.7,MCD06138,MCD06138,O=S(=O)([*])N[*] | |
| Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)Nc1ccc(cc1)CN(C)CCCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3,LIN0004,Sulfonamide,3,4.7,MCD00488,MCD00488,O=S(=O)([*])N[*] | |
| Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)Nc1ccc(cc1)CN(C)CCCCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3,LIN0004,Sulfonamide,3,4.7,MCD00490,MCD00490,O=S(=O)([*])N[*] | |
| COc1ncc2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13,LIN0004,Sulfonamide,3,4.7,MCD08342,MCD08342,O=S(=O)([*])N[*] | |
| O=C1CCCNS(=O)(=O)c2ncccc2CNc2nc(ncc2C(F)(F)F)Nc2ccc3c(c2)CCN13,LIN0016,Sulfonamide,7,8.8,MCD06511,MCD06511,O=C([*])CCCNS(=O)(=O)[*] | |
| Cc1noc2c1-c1ccc(cc1)CNS(=O)(=O)CCCc1cccc(c1)OC2,LIN0823,Sulfonamide,7,8.9,MCD13009,MCD13009,O=S(=O)(CCC[*])NC[*] | |
| Cc1c2cc(F)cc1NS(=O)(=O)CCCCC[C@H]1CN(CCN1C(=O)CC1CC1)C2,LIN0935,"Sulfonamide,Ring structure ",12,12.9,MCD18479,MCD18479,O=C(CC1CC1)N1CCN(C[*])C[C@@H]1CCCCCS(=O)(=O)N[*] | |
| CN1CCc2cccc(c2)[C@@H](Nc2ccc3c(N)ncc(F)c3c2)C(=O)N(C)Cc2cc(ccc2S(=O)(=O)C2CC2)NC1=O,LIN0321,Urea,6,6.5,MCD00737,MCD00737,CN(CC[*])C(=O)N[*] | |
| CN1CCc2cccc(c2)[C@@H](Nc2ccc3c(N)nccc3c2)C(=O)N(C)Cc2cc(ccc2S(=O)(=O)C2CC2)NC1=O,LIN0321,Urea,6,6.5,MCD00739,MCD00739,CN(CC[*])C(=O)N[*] | |
| COc1ccc2cc1[C@H](C)CN(C)C(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)ncc(F)c2c1,LIN0323,Urea,6,6.5,MCD00743,MCD00743,C[C@@H]([*])CN(C)C(=O)N[*] | |
| COc1ccc2cc1[C@@H](C)CN(C)C(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1,LIN0324,Urea,6,6.2,MCD00749,MCD00749,C[C@H]([*])CN(C)C(=O)N[*] | |
| CCn1ncc2cc3nc(c21)/C=C\COC(C)(C)[C@H](c1ccccc1)NC(=O)N3,LIN1017,"Urea,Double bond,Ether",10,8.9,MCD06497,MCD06497,[*]NC(N[C@@H](c1ccccc1)C(C)(C)OC/C=C\[*])=O | |
| Cn1ncc2cc3nc(c21)CCCOC[C@H](c1ccccc1)NC(=O)N3,LIN1001,"Urea,Ether",10,9.3,MCD06507,MCD06507,[*]NC(N[C@@H](c1ccccc1)COCCC[*])=O | |
| CCn1ncc2cc3nc(c21)CCCOC[C@H](c1ccccc1)NC(=O)N3,LIN1002,"Urea,Ether",10,9.3,MCD06508,MCD06508,[*]NC(N[C@@H](c1ccccc1)COCCC[*])=O | |
| CCn1ncc2cc3nc(c21)CCCOC(C)(C)[C@H](c1ccccc1)NC(=O)N3,LIN1003,"Urea,Ether",10,10.2,MCD06504,MCD06504,[*]NC(N[C@H](c1ccccc1)C(C)(C)OCCC[*])=O | |
| CCn1ncc2cc3nc(c21)CCCOC(C)(C)[C@@H](c1ccccc1)NC(=O)N3,LIN1004,"Urea,Ether",10,10.2,MCD06503,MCD06503,[*]NC(N[C@H](c1ccccc1)C(C)(C)OCCC[*])=O | |
| CCn1ncc2cc3nc(c21)CCCO[C@H](O)[C@H](c1ccccc1)NC(=O)N3,LIN1005,"Urea,Ether",10,11.2,MCD06499,MCD06499,[*]NC(N[C@@H](c1ccccc1)[C@H](O)OCCC[*])=O | |
| CCn1ncc2cc3nc(c21)CCCO[C@H](CO)[C@H](c1ccccc1)NC(=O)N3,LIN1006,"Urea,Ether",10,8.9,MCD06501,MCD06501,[*]NC(N[C@H](c1ccccc1)[C@H](CO)OCCC[*])=O | |
| CCn1ncc2cc3nc(c21)CCCO[C@@H](O)[C@H](c1ccccc1)NC(=O)N3,LIN1007,"Urea,Ether",10,11.2,MCD06498,MCD06498,[*]NC(N[C@@H](c1ccccc1)[C@H](O)OCCC[*])=O | |
| CCn1ncc2cc3nc(c21)CCCO[C@@H](CO)[C@@H](c1ccccc1)NC(=O)N3,LIN1008,"Urea,Ether",10,8.9,MCD06502,MCD06502,[*]NC(N[C@H](c1ccccc1)[C@H](CO)OCCC[*])=O | |
| CCn1ncc2cc3nc(c21)CCCO[C@@H]([C@H](C)O)[C@@H](c1ccccc1)NC(=O)N3,LIN1009,"Urea,Ether",10,7.8,MCD06495,MCD06495,[*]NC(N[C@H](c1ccccc1)[C@H]([C@@H](O)C)OCCC[*])=O | |
| CCn1ncc2cc3nc(c21)CCCO[C@@H]([C@@H](C)O)[C@@H](c1ccccc1)NC(=O)N3,LIN1010,"Urea,Ether",10,9.6,MCD06496,MCD06496,[*]NC(N[C@H](c1ccccc1)[C@H]([C@H](O)C)OCCC[*])=O | |
| CCn1ncc2cc3nc(c21)C[C@H](O)COC[C@H](c1ccccc1)NC(=O)N3,LIN1011,"Urea,Ether",10,10.3,MCD06506,MCD06506,[*]NC(N[C@@H](c1ccccc1)COC[C@@H](O)C[*])=O | |
| CCn1ncc2cc3nc(c21)C[C@H](O)COC[C@H](c1cccc(F)c1)NC(=O)N3,LIN1012,"Urea,Ether",10,12.1,MCD06493,MCD06493,[*]NC(N[C@@H](c1cc(F)ccc1)COC[C@@H](O)C[*])=O | |
| CCn1ncc2cc3nc(c21)C[C@H](O)COC[C@H](c1cccc(Cl)c1)NC(=O)N3,LIN1013,"Urea,Ether",10,12,MCD06491,MCD06491,[*]NC(N[C@@H](c1cc(Cl)ccc1)COC[C@@H](O)C[*])=O | |
| CCn1ncc2cc3nc(c21)C[C@H](O)COC[C@H](c1ccc(OC)c(F)c1)NC(=O)N3,LIN1014,"Urea,Ether",10,12,MCD06494,MCD06494,[*]NC(N[C@@H](c1cc(F)c(OC)cc1)COC[C@@H](O)C[*])=O | |
| CCn1ncc2cc3nc(c21)C[C@H](O)COC[C@H](c1ccc(Cl)c(F)c1)NC(=O)N3,LIN1015,"Urea,Ether",10,11.9,MCD06492,MCD06492,[*]NC(N[C@@H](c1cc(F)c(Cl)cc1)COC[C@@H](O)C[*])=O | |
| CCn1ncc2cc3nc(c21)C[C@@H](O)COC[C@H](c1ccccc1)NC(=O)N3,LIN1016,"Urea,Ether",10,10.3,MCD06505,MCD06505,[*]NC(N[C@@H](c1ccccc1)COC[C@@H](O)C[*])=O | |
| CCn1ncc2cc3nc(c21)NCCOC[C@H](c1ccccc1)NC(=O)N3,LIN1000,"Urea,Ether,Amine",10,9.6,MCD06500,MCD06500,[*]NC(N[C@@H](c1ccccc1)COCCN[*])=O | |