 | | A1LVP | | Name: | 1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-prop-2-enyl-3~{H}-1,4-benzodiazepine-2,5-dione | | Formula: | C21 H22 N2 O5 | | SMILES: | CN1C(=O)CN(CC=C)C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O | | InChi: | InChI=1S/C21H22N2O5/c1-4-10-23-11-17(26)22(3)14-9-8-13(12(2)18(14)21(23)28)20(27)19-15(24)6-5-7-16(19)25/h4,8-9,24H,1,5-7,10-11H2,2-3H3 | | Definition date: | 2023-12-27 | | Last modified: | 2024-12-20 | | Release date: | 2024-12-25 | | Identifier: | 1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-prop-2-enyl-3~{H}-1,4-benzodiazepine-2,5-dione |
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 | | A1IAZ | | Name: | 2-[5-(1,3-benzodioxol-5-yl)-2-~{tert}-butyl-1~{H}-imidazol-4-yl]-6-methyl-pyridine | | Formula: | C20 H21 N3 O2 | | SMILES: | Cc1cccc(n1)c2nc([nH]c2c3ccc4OCOc4c3)C(C)(C)C | | InChi: | InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23) | | Definition date: | 2024-05-09 | | Last modified: | 2024-12-20 | | Release date: | 2024-12-25 | | Identifier: | 2-[5-(1,3-benzodioxol-5-yl)-2-~{tert}-butyl-1~{H}-imidazol-4-yl]-6-methyl-pyridine |
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 | | A1IID | | Name: | 4-mercaptophenyl-alanine | | Formula: | C9 H11 N O2 S | | SMILES: | N[CH](Cc1ccc(S)cc1)C(O)=O | | InChi: | InChI=1S/C9H11NO2S/c10-8(9(11)12)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5,10H2,(H,11,12)/t8-/m0/s1 | | Synonyms: | (2~{S})-2-azanyl-3-(4-sulfanylphenyl)propanoic acid | | Definition date: | 2024-07-17 | | Last modified: | 2024-12-20 | | Release date: | 2024-12-25 | | Identifier: | (2~{S})-2-azanyl-3-(4-sulfanylphenyl)propanoic acid |
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 | | A1IPL | | Name: | para-boronophenylalanine | | Formula: | C9 H13 B N O5 | | SMILES: | N[CH](Cc1ccc(cc1)[B](O)(O)O)C(O)=O | | InChi: | InChI=1S/C9H13BNO5/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14,15)16/h1-4,8,14-16H,5,11H2,(H,12,13)/t8-/m0/s1 | | Synonyms: | [4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron | | Definition date: | 2024-09-24 | | Last modified: | 2024-12-20 | | Release date: | 2024-12-25 | | Identifier: | [4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenyl]-tris(oxidanyl)boron |
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 | | 8IF | | Name: | (Z,2R,4S)-1-(4-methoxy-5-methylidene-2-oxidanylidene-furan-3-yl)-2,4-dimethyl-dodec-6-ene-1,5-dione | | Formula: | C20 H28 O5 | | SMILES: | CCCCCC=CC(=O)[CH](C)C[CH](C)C(=O)C1=C(OC)C(=C)OC1=O | | InChi: | InChI=1S/C20H28O5/c1-6-7-8-9-10-11-16(21)13(2)12-14(3)18(22)17-19(24-5)15(4)25-20(17)23/h10-11,13-14H,4,6-9,12H2,1-3,5H3/t13-,14+/m0/s1 | | Definition date: | 2021-10-19 | | Last modified: | 2024-12-19 | | Release date: | 2022-11-16 | | Identifier: | (~{Z},2~{R},4~{S})-1-(4-methoxy-5-methylidene-2-oxidanylidene-furan-3-yl)-2,4-dimethyl-dodec-6-ene-1,5-dione |
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 | | QNG | | Name: | Lenacapavir | | Formula: | C39 H32 Cl F10 N7 O5 S2 | | SMILES: | C(Cc1cc(F)cc(c1)F)(c2nc(ccc2c3ccc(c4c3n(CC(F)(F)F)nc4NS(C)(=O)=O)Cl)C#CC(S(C)(=O)=O)(C)C)NC(=O)Cn5c6c(c(n5)C(F)(F)F)C7C(C6(F)F)C7 | | InChi: | InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1 | | Synonyms: | Sunlenca | | Definition date: | 2019-11-25 | | Last modified: | 2024-12-18 | | Release date: | 2020-07-01 | | Identifier: | N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide |
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 | | WFP | | Name: | 3,5-difluoro-L-phenylalanine | | Formula: | C9 H9 F2 N O2 | | SMILES: | N[CH](Cc1cc(F)cc(F)c1)C(O)=O | | InChi: | InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1 | | Definition date: | 2009-12-13 | | Last modified: | 2024-12-18 | | Identifier: | (2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid |
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 | | Y68 | | Name: | [3-chloro-5-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate | | Formula: | C22 H19 Cl F3 N5 O4 | | SMILES: | FC(F)(F)Oc1cc(cc(Cl)c1)COC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C22H19ClF3N5O4/c23-16-3-12(4-17(6-16)35-22(24,25)26)11-34-21(33)31-9-14-7-30(8-15(14)10-31)20(32)13-1-2-18-19(5-13)28-29-27-18/h1-6,14-15H,7-11H2,(H,27,28,29) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [3-chloro-5-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate |
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 | | XEO | | Name: | 2-{6-chloro-3-[4-(3-methylpyridin-2-yl)piperazine-1-carbonyl]-1H-indol-1-yl}-N,N-dimethylacetamide | | Formula: | C23 H26 Cl N5 O2 | | SMILES: | O=C(c1cn(CC(=O)N(C)C)c2cc(Cl)ccc21)N1CCN(CC1)c1ncccc1C | | InChi: | InChI=1S/C23H26ClN5O2/c1-16-5-4-8-25-22(16)27-9-11-28(12-10-27)23(31)19-14-29(15-21(30)26(2)3)20-13-17(24)6-7-18(19)20/h4-8,13-14H,9-12,15H2,1-3H3 | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-{6-chloro-3-[4-(3-methylpyridin-2-yl)piperazine-1-carbonyl]-1H-indol-1-yl}-N,N-dimethylacetamide |
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 | | XET | | Name: | [6-(methanesulfonyl)-1,6-diazaspiro[3.3]heptan-1-yl][2-({[3-(propan-2-yl)-5-(trifluoromethoxy)phenyl]methyl}amino)pyrimidin-5-yl]methanone | | Formula: | C22 H26 F3 N5 O4 S | | SMILES: | O=S(C)(=O)N1CC2(CCN2C(=O)c2cnc(NCc3cc(cc(OC(F)(F)F)c3)C(C)C)nc2)C1 | | InChi: | InChI=1S/C22H26F3N5O4S/c1-14(2)16-6-15(7-18(8-16)34-22(23,24)25)9-26-20-27-10-17(11-28-20)19(31)30-5-4-21(30)12-29(13-21)35(3,32)33/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3,(H,26,27,28) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [6-(methanesulfonyl)-1,6-diazaspiro[3.3]heptan-1-yl][2-({[3-(propan-2-yl)-5-(trifluoromethoxy)phenyl]methyl}amino)pyrimidin-5-yl]methanone |
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 | | Y6I | | Name: | [3-fluoro-4-(trifluoromethoxy)phenyl]methyl (9R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-4,5,7,8-tetrahydro-6H-pyrazolo[1,5-d][1,4]diazepine-6-carboxylate | | Formula: | C22 H21 F4 N7 O4 | | SMILES: | FC(F)(F)Oc1ccc(cc1F)COC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2[NH]nnc2C1 | | InChi: | InChI=1S/C22H21F4N7O4/c23-15-9-13(1-2-19(15)37-22(24,25)26)12-36-21(35)31-5-3-14-10-17(29-33(14)8-7-31)20(34)32-6-4-16-18(11-32)28-30-27-16/h1-2,9-10H,3-8,11-12H2,(H,27,28,30) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [3-fluoro-4-(trifluoromethoxy)phenyl]methyl (9R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-4,5,7,8-tetrahydro-6H-pyrazolo[1,5-d][1,4]diazepine-6-carboxylate |
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 | | XEX | | Name: | (3R)-3-(3-bromophenyl)-3-(2-{2-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxyphenoxy}acetamido)-N-methylpropanamide | | Formula: | C23 H26 Br F2 N3 O4 | | SMILES: | Brc1cccc(c1)C(CC(=O)NC)NC(=O)COc1c(cccc1CN1CC(F)(F)C1)OC | | InChi: | InChI=1S/C23H26BrF2N3O4/c1-27-20(30)10-18(15-5-3-7-17(24)9-15)28-21(31)12-33-22-16(6-4-8-19(22)32-2)11-29-13-23(25,26)14-29/h3-9,18H,10-14H2,1-2H3,(H,27,30)(H,28,31) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (3R)-3-(3-bromophenyl)-3-(2-{2-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxyphenoxy}acetamido)-N-methylpropanamide |
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 | | Y6N | | Name: | 5-{[(6-cyclopropyl-2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | | Formula: | C15 H16 N4 O2 S | | SMILES: | O=C1NN=C(COc2cc3nc(C)sc3cc2C2CC2)N1C | | InChi: | InChI=1S/C15H16N4O2S/c1-8-16-11-6-12(10(9-3-4-9)5-13(11)22-8)21-7-14-17-18-15(20)19(14)2/h5-6,9H,3-4,7H2,1-2H3,(H,18,20) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 5-{[(6-cyclopropyl-2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
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 | | XF3 | | Name: | 1-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]piperidine-4-sulfonamide | | Formula: | C27 H37 N5 O6 S | | SMILES: | NS(=O)(=O)C1CCN(CC1)C(=O)N1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 | | InChi: | InChI=1S/C27H37N5O6S/c28-39(35,36)23-3-7-30(8-4-23)27(34)32-15-21-13-31(14-22(21)16-32)26(33)20-11-24(19-1-2-19)29-25(12-20)38-17-18-5-9-37-10-6-18/h11-12,18-19,23H,1-10,13-17H2,(H2,28,35,36) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 1-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]piperidine-4-sulfonamide |
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 | | Y6R | | Name: | (2E)-1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one | | Formula: | C25 H24 F3 N5 O3 | | SMILES: | FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C25H24F3N5O3/c26-25(27,28)36-20-5-1-16(2-6-20)3-8-23(34)32-11-9-18-14-33(15-19(18)10-12-32)24(35)17-4-7-21-22(13-17)30-31-29-21/h1-8,13,18-19H,9-12,14-15H2,(H,29,30,31) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (2E)-1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one |
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 | | XF9 | | Name: | [3-chloro-5-(methanesulfonyl)phenyl]methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate | | Formula: | C24 H26 Cl N5 O5 S | | SMILES: | CS(=O)(=O)c1cc(cc(Cl)c1)COC(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C24H26ClN5O5S/c1-36(33,34)20-9-15(8-19(25)11-20)14-35-24(32)29-6-4-17-12-30(13-18(17)5-7-29)23(31)16-2-3-21-22(10-16)27-28-26-21/h2-3,8-11,17-18H,4-7,12-14H2,1H3,(H,26,27,28) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [3-chloro-5-(methanesulfonyl)phenyl]methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate |
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 | | Y6X | | Name: | (2R)-6-chloro-2-{[5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile | | Formula: | C20 H18 Cl N5 O2 | | SMILES: | O=C(N1CCC21COC2)c1cnc(NC2Cc3cc(Cl)cc(C#N)c3C2)nc1 | | InChi: | InChI=1S/C20H18ClN5O2/c21-15-3-12-5-16(6-17(12)13(4-15)7-22)25-19-23-8-14(9-24-19)18(27)26-2-1-20(26)10-28-11-20/h3-4,8-9,16H,1-2,5-6,10-11H2,(H,23,24,25)/t16-/m1/s1 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (2R)-6-chloro-2-{[5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile |
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 | | Y7A | | Name: | [(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]{2-(dimethylamino)-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone | | Formula: | C27 H33 N7 O4 | | SMILES: | O=C(c1ccc2[NH]nnc2c1)N1CC2CN(CC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)N(C)C | | InChi: | InChI=1S/C27H33N7O4/c1-32(2)24-10-19(11-25(28-24)38-16-17-5-7-37-8-6-17)27(36)34-14-20-12-33(13-21(20)15-34)26(35)18-3-4-22-23(9-18)30-31-29-22/h3-4,9-11,17,20-21H,5-8,12-16H2,1-2H3,(H,29,30,31) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]{2-(dimethylamino)-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone |
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 | | XFO | | Name: | 1-(2-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide | | Formula: | C28 H38 N4 O6 S | | SMILES: | NS(=O)(=O)C1CCN(CC1)C(=O)C1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 | | InChi: | InChI=1S/C28H38N4O6S/c29-39(35,36)24-3-7-31(8-4-24)27(33)20-11-22-15-32(16-23(22)12-20)28(34)21-13-25(19-1-2-19)30-26(14-21)38-17-18-5-9-37-10-6-18/h13-14,18-20,24H,1-12,15-17H2,(H2,29,35,36) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 1-(2-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide |
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 | | Y7E | | Name: | (3S)-3-{2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]acetamido}-N-methyl-3-(4-nitrophenyl)propanamide | | Formula: | C26 H29 N7 O6 | | SMILES: | O=C(C)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NC(CC(=O)NC)c3ccc(cc3)[N+]([O-])=O)C=Nc2cc1 | | InChi: | InChI=1S/C26H29N7O6/c1-17(34)30-9-11-31(12-10-30)20-7-8-22-21(13-20)26(37)32(16-28-22)15-25(36)29-23(14-24(35)27-2)18-3-5-19(6-4-18)33(38)39/h3-8,13,16,23H,9-12,14-15H2,1-2H3,(H,27,35)(H,29,36) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (3S)-3-{2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]acetamido}-N-methyl-3-(4-nitrophenyl)propanamide |
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 | | XFT | | Name: | N-cyclopentyl-4-[3-(2-{[(3,4-dichlorophenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-6-yl]piperazine-1-carboxamide | | Formula: | C27 H30 Cl2 N6 O3 | | SMILES: | O=C(NC1CCCC1)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C=Nc2cc1 | | InChi: | InChI=1S/C27H30Cl2N6O3/c28-22-7-5-18(13-23(22)29)15-30-25(36)16-35-17-31-24-8-6-20(14-21(24)26(35)37)33-9-11-34(12-10-33)27(38)32-19-3-1-2-4-19/h5-8,13-14,17,19H,1-4,9-12,15-16H2,(H,30,36)(H,32,38) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-cyclopentyl-4-[3-(2-{[(3,4-dichlorophenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-6-yl]piperazine-1-carboxamide |
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 | | XFY | | Name: | (10S)-N-(3,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine | | Formula: | C17 H15 N5 O2 | | SMILES: | COc1cc(cc(OC)c1)Nc1nc2ccccc2n2cnnc12 | | InChi: | InChI=1S/C17H15N5O2/c1-23-12-7-11(8-13(9-12)24-2)19-16-17-21-18-10-22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (10S)-N-(3,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine |
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 | | Y7O | | Name: | N-benzyl-2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-phenylacetamide | | Formula: | C18 H18 N4 O2 | | SMILES: | CN1C(=O)NN=C1CC(=O)N(Cc1ccccc1)c1ccccc1 | | InChi: | InChI=1S/C18H18N4O2/c1-21-16(19-20-18(21)24)12-17(23)22(15-10-6-3-7-11-15)13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,24) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-benzyl-2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-phenylacetamide |
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 | | XG2 | | Name: | 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole | | Formula: | C15 H19 Cl N2 O | | SMILES: | CC(C)(C)c1cc(Cl)c(C)cc1OCc1cc[NH]n1 | | InChi: | InChI=1S/C15H19ClN2O/c1-10-7-14(19-9-11-5-6-17-18-11)12(8-13(10)16)15(2,3)4/h5-8H,9H2,1-4H3,(H,17,18) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole |
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 | | Y7T | | Name: | 4-[(4-{[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]methyl}-1H-1,2,3-triazol-1-yl)methyl]-2-fluorobenzonitrile | | Formula: | C25 H23 F N8 O2 | | SMILES: | CC(=O)N1CCN(CC1)c1ccc2N=CN(Cc3cn(Cc4cc(F)c(C#N)cc4)nn3)C(=O)c2c1 | | InChi: | InChI=1S/C25H23FN8O2/c1-17(35)31-6-8-32(9-7-31)21-4-5-24-22(11-21)25(36)33(16-28-24)14-20-15-34(30-29-20)13-18-2-3-19(12-27)23(26)10-18/h2-5,10-11,15-16H,6-9,13-14H2,1H3 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-[(4-{[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]methyl}-1H-1,2,3-triazol-1-yl)methyl]-2-fluorobenzonitrile |
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