 | | ZVB | | Name: | 2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine | | Formula: | C10 H12 N2 | | SMILES: | CC(C)c1cc2ncccc2[NH]1 | | InChi: | InChI=1S/C10H12N2/c1-7(2)9-6-10-8(12-9)4-3-5-11-10/h3-7,12H,1-2H3 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine |
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 | | ZVE | | Name: | (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine | | Formula: | C10 H14 F3 N3 | | SMILES: | Cn1cc(nc1C1CNCCC1)C(F)(F)F | | InChi: | InChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m1/s1 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine |
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 | | ZVH | | Name: | (1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid | | Formula: | C10 H12 O2 S | | SMILES: | O=C(O)C1CCCC1c1ccsc1 | | InChi: | InChI=1S/C10H12O2S/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H,11,12)/t8-,9-/m0/s1 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid |
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 | | ZVK | | Name: | ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate | | Formula: | C12 H18 N2 S | | SMILES: | CNC(/SCC)=N/c1ccc(cc1)CC | | InChi: | InChI=1S/C12H18N2S/c1-4-10-6-8-11(9-7-10)14-12(13-3)15-5-2/h6-9H,4-5H2,1-3H3,(H,13,14) | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate |
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 | | ZVN | | Name: | 2-(piperazin-1-yl)-1,3-benzothiazole | | Formula: | C11 H13 N3 S | | SMILES: | c1cccc2sc(nc12)N1CCNCC1 | | InChi: | InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 2-(piperazin-1-yl)-1,3-benzothiazole |
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 | | ZW5 | | Name: | 1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine | | Formula: | C12 H17 F N2 O | | SMILES: | COc1ccc(cc1F)CN1CCNCC1 | | InChi: | InChI=1S/C12H17FN2O/c1-16-12-3-2-10(8-11(12)13)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine |
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 | | YBZ | | Name: | (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine | | Formula: | C9 H7 N3 S | | SMILES: | N=Cc1sc(nn1)c2ccccc2 | | InChi: | InChI=1S/C9H7N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6- | | Definition date: | 2023-06-13 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine |
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 | | ZHO | | Name: | ~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine | | Formula: | C26 H29 N9 | | SMILES: | CNc1nc(cn2c(C)nnc12)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6 | | InChi: | InChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28) | | Definition date: | 2023-06-23 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | ~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine |
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 | | IXK | | Name: | [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)furan-3-yl] [5-(6-aminopurin-9-yl)-3-oxidanyl-furan-2-yl]methyl hydrogen phosphate | | Formula: | C20 H17 N10 O8 P | | SMILES: | Nc1ncnc2n(cnc12)c3oc(CO[P](O)(=O)Oc4cc(oc4CO)n5cnc6c(N)ncnc56)c(O)c3 | | InChi: | InChI=1S/C20H17N10O8P/c21-17-15-19(25-5-23-17)29(7-27-15)13-1-9(32)12(37-13)4-35-39(33,34)38-10-2-14(36-11(10)3-31)30-8-28-16-18(22)24-6-26-20(16)30/h1-2,5-8,31-32H,3-4H2,(H,33,34)(H2,21,23,25)(H2,22,24,26) | | Definition date: | 2022-08-02 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)furan-3-yl] [5-(6-aminopurin-9-yl)-3-oxidanyl-furan-2-yl]methyl hydrogen phosphate |
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 | | J6F | | Name: | 7-hexyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione | | Formula: | C12 H18 N4 O2 S | | SMILES: | CCCCCCN1C(=S)NC2=C1C(=O)NC(=O)N2C | | InChi: | InChI=1S/C12H18N4O2S/c1-3-4-5-6-7-16-8-9(13-12(16)19)15(2)11(18)14-10(8)17/h3-7H2,1-2H3,(H,13,19)(H,14,17,18) | | Definition date: | 2022-08-04 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 7-hexyl-3-methyl-8-sulfanylidene-9~{H}-purine-2,6-dione |
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 | | KG2 | | Name: | [(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate | | Formula: | C22 H26 N O3 | | SMILES: | C[N+]12CCC(CC1)[CH](C2)OC(=O)C(O)(c3ccccc3)c4ccccc4 | | InChi: | InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1/t17-,20-,23+/m1/s1 | | Definition date: | 2022-09-18 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | [(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate |
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 | | KYL | | Name: | (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline | | Formula: | C39 H46 N2 O6 | | SMILES: | COc1ccc(C[CH]2N(C)CCc3cc(OC)c(OC)cc23)cc1Oc4ccc(C[CH]5N(C)CCc6cc(OC)c(OC)cc56)cc4 | | InChi: | InChI=1S/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33-/m1/s1 | | Definition date: | 2022-10-28 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline |
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 | | M5R | | Name: | 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione | | Formula: | C17 H24 F N3 O4 S | | SMILES: | O=C1CN(c2c(F)c3CC(NCCC(C)C)CCc3cc2O)S(=O)(=O)N1 | | InChi: | InChI=1S/C17H24FN3O4S/c1-10(2)5-6-19-12-4-3-11-7-14(22)17(16(18)13(11)8-12)21-9-15(23)20-26(21,24)25/h7,10,12,19,22H,3-6,8-9H2,1-2H3,(H,20,23)/t12-/m1/s1 | | Definition date: | 2022-03-14 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione |
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 | | 7TK | | Name: | (3S)-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid | | Formula: | C8 H14 N2 O3 | | SMILES: | N[CH](CC(O)=O)C(=O)N1CCCC1 | | InChi: | InChI=1S/C8H14N2O3/c9-6(5-7(11)12)8(13)10-3-1-2-4-10/h6H,1-5,9H2,(H,11,12)/t6-/m0/s1 | | Definition date: | 2021-10-25 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (3~{S})-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid |
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 | | PJI | | Name: | ~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide | | Formula: | C40 H57 Cl N3 O3 | | SMILES: | CN1c2ccccc2C(C)(C)C1=CC=CC3=[N+](CCCCCC(=O)NCCOCCOCCCCCCCl)c4ccccc4C3(C)C | | InChi: | InChI=1S/C40H56ClN3O3/c1-39(2)32-18-10-12-20-34(32)43(5)36(39)22-17-23-37-40(3,4)33-19-11-13-21-35(33)44(37)27-15-8-9-24-38(45)42-26-29-47-31-30-46-28-16-7-6-14-25-41/h10-13,17-23H,6-9,14-16,24-31H2,1-5H3/p+1 | | Definition date: | 2022-10-04 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | ~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide |
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 | | TXU | | Name: | N-methylmyosmine | | Formula: | C10 H12 N2 | | SMILES: | CN1CCC=C1c1cnccc1 | | InChi: | InChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4-6,8H,3,7H2,1H3 | | Definition date: | 2022-07-29 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (3P)-3-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridine |
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 | | ULX | | Name: | [4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol | | Formula: | C29 H31 F3 N4 O3 | | SMILES: | FC(F)(F)c1ccc(cc1)CC1(CCN(Cc2c[NH]c3ccccc23)C1)CNc1ccc(CO)cc1N(O)O | | InChi: | InChI=1S/C29H31F3N4O3/c30-29(31,32)23-8-5-20(6-9-23)14-28(18-34-26-10-7-21(17-37)13-27(26)36(38)39)11-12-35(19-28)16-22-15-33-25-4-2-1-3-24(22)25/h1-10,13,15,33-34,37-39H,11-12,14,16-19H2/t28-/m0/s1 | | Definition date: | 2022-08-23 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | [3-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol |
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 | | UMI | | Name: | [2-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol | | Formula: | C29 H31 F3 N4 O3 | | SMILES: | FC(F)(F)c1cccc(c1)CC1(CCN(Cc2c[NH]c3ccccc23)C1)CNc1ccc(CO)c(c1)N(O)O | | InChi: | InChI=1S/C29H31F3N4O3/c30-29(31,32)23-5-3-4-20(12-23)14-28(18-34-24-9-8-21(17-37)27(13-24)36(38)39)10-11-35(19-28)16-22-15-33-26-7-2-1-6-25(22)26/h1-9,12-13,15,33-34,37-39H,10-11,14,16-19H2/t28-/m0/s1 | | Definition date: | 2022-08-23 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | [2-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol |
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 | | NT6 | | Name: | (3s,5s,7s)-N-(4,5-dichloropyridin-2-yl)adamantane-1-carboxamide | | Formula: | C16 H18 Cl2 N2 O | | SMILES: | O=C(Nc1cc(Cl)c(Cl)cn1)C12CC3CC(CC(C3)C1)C2 | | InChi: | InChI=1S/C16H18Cl2N2O/c17-12-4-14(19-8-13(12)18)20-15(21)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,8-11H,1-3,5-7H2,(H,19,20,21)/t9-,10+,11-,16- | | Definition date: | 2022-04-08 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (3s,5s,7s)-N-(4,5-dichloropyridin-2-yl)adamantane-1-carboxamide |
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 | | O5F | | Name: | (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide | | Formula: | C34 H31 N5 O2 | | SMILES: | CC(NC(=O)c1cccc2nc(c3cncc4ccccc43)n(CCCC(=O)NC)c12)c1cc2ccccc2cc1 | | InChi: | InChI=1S/C34H31N5O2/c1-22(24-17-16-23-9-3-4-10-25(23)19-24)37-34(41)28-13-7-14-30-32(28)39(18-8-15-31(40)35-2)33(38-30)29-21-36-20-26-11-5-6-12-27(26)29/h3-7,9-14,16-17,19-22H,8,15,18H2,1-2H3,(H,35,40)(H,37,41)/t22-/m0/s1 | | Definition date: | 2022-04-22 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide |
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 | | O5O | | Name: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide | | Formula: | C34 H32 F3 N5 O2 | | SMILES: | FC(F)(F)c1ccc(cc1)C(CCC)NC(=O)c1cccc2nc(c3cncc4ccccc43)n(c12)C1CC(C1)C(=O)NC | | InChi: | InChI=1S/C34H32F3N5O2/c1-3-7-28(20-12-14-23(15-13-20)34(35,36)37)41-33(44)26-10-6-11-29-30(26)42(24-16-22(17-24)32(43)38-2)31(40-29)27-19-39-18-21-8-4-5-9-25(21)27/h4-6,8-15,18-19,22,24,28H,3,7,16-17H2,1-2H3,(H,38,43)(H,41,44)/t22-,24+,28-/m0/s1 | | Definition date: | 2022-04-22 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide |
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 | | O69 | | Name: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide | | Formula: | C35 H31 N5 O2 | | SMILES: | CNC(=O)C1CC(C1)n1c2c(cccc2nc1c1cncc2ccccc21)C(=O)NC(C)c1cc2ccccc2cc1 | | InChi: | InChI=1S/C35H31N5O2/c1-21(23-15-14-22-8-3-4-9-24(22)16-23)38-35(42)29-12-7-13-31-32(29)40(27-17-26(18-27)34(41)36-2)33(39-31)30-20-37-19-25-10-5-6-11-28(25)30/h3-16,19-21,26-27H,17-18H2,1-2H3,(H,36,41)(H,38,42)/t21-,26-,27+/m0/s1 | | Definition date: | 2022-04-25 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide |
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 | | JCO | | Name: | N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide | | Formula: | C16 H22 N2 O3 S | | SMILES: | CCN1C(=O)Cc2cc(N[S](=O)(=O)C3CCCCC3)ccc12 | | InChi: | InChI=1S/C16H22N2O3S/c1-2-18-15-9-8-13(10-12(15)11-16(18)19)17-22(20,21)14-6-4-3-5-7-14/h8-10,14,17H,2-7,11H2,1H3 | | Synonyms: | N-(1-ethyl-2-oxoindolin-5-yl)cyclohexanesulfonamide | | Definition date: | 2022-08-09 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | ~{N}-(1-ethyl-2-oxidanylidene-3~{H}-indol-5-yl)cyclohexanesulfonamide |
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 | | W38 | | Name: | 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine | | Formula: | C21 H26 F3 N5 O2 | | SMILES: | CC(C)c1nc(cn1C23CC(C2)(C3)N4CCOCC4)c5cnc(N)c(OC(F)(F)F)c5 | | InChi: | InChI=1S/C21H26F3N5O2/c1-13(2)18-27-15(14-7-16(17(25)26-8-14)31-21(22,23)24)9-29(18)20-10-19(11-20,12-20)28-3-5-30-6-4-28/h7-9,13H,3-6,10-12H2,1-2H3,(H2,25,26)/t19-,20+ | | Definition date: | 2023-04-26 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine |
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 | | W3C | | Name: | (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol | | Formula: | C16 H13 F7 N4 O2 | | SMILES: | Nc1ncc(cc1OC(F)(F)F)c2cn(c(n2)[CH](O)C(F)(F)F)C34CC(F)(C3)C4 | | InChi: | InChI=1S/C16H13F7N4O2/c17-13-4-14(5-13,6-13)27-3-8(26-12(27)10(28)15(18,19)20)7-1-9(11(24)25-2-7)29-16(21,22)23/h1-3,10,28H,4-6H2,(H2,24,25)/t10-,13-,14+/m1/s1 | | Definition date: | 2023-04-26 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (1~{R})-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol |
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