 | | Y3K | | Name: | 6-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carbonyl]-1-methyl-1,3-dihydro-2H-benzimidazol-2-one | | Formula: | C32 H39 N5 O5 | | SMILES: | O=C1Nc2ccc(cc2N1C)C(=O)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 | | InChi: | InChI=1S/C32H39N5O5/c1-35-28-15-22(4-5-26(28)34-32(35)40)30(38)37-17-23-6-10-36(11-7-24(23)18-37)31(39)25-14-27(21-2-3-21)33-29(16-25)42-19-20-8-12-41-13-9-20/h4-5,14-16,20-21,23-24H,2-3,6-13,17-19H2,1H3,(H,34,40) | | Definition date: | 2023-06-09 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 6-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carbonyl]-1-methyl-1,3-dihydro-2H-benzimidazol-2-one |
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 | | ZIF | | Name: | (8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2R)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine | | Formula: | C18 H19 Cl N4 O | | SMILES: | Clc1ccc(cc1)c1cnn2c(NCC3CCCO3)cc(C)nc21 | | InChi: | InChI=1S/C18H19ClN4O/c1-12-9-17(20-10-15-3-2-8-24-15)23-18(22-12)16(11-21-23)13-4-6-14(19)7-5-13/h4-7,9,11,15,20H,2-3,8,10H2,1H3/t15-/m1/s1 | | Definition date: | 2023-06-23 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2R)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine |
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 | | Y3Q | | Name: | 6-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}pyridazin-3(2H)-one | | Formula: | C15 H17 Cl N2 O2 | | SMILES: | CC(C)c1cc(Cl)c(C)cc1OCC=1C=CC(=O)NN=1 | | InChi: | InChI=1S/C15H17ClN2O2/c1-9(2)12-7-13(16)10(3)6-14(12)20-8-11-4-5-15(19)18-17-11/h4-7,9H,8H2,1-3H3,(H,18,19) | | Definition date: | 2023-06-09 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 6-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}pyridazin-3(2H)-one |
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 | | ZIS | | Name: | [2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate | | Formula: | C24 H27 F4 N5 O4 | | SMILES: | FC(F)(F)COc1ccc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)C2CCc3[NH]nnc3C2)c(F)c1 | | InChi: | InChI=1S/C24H27F4N5O4/c25-18-10-17(37-14-24(26,27)28)3-1-16(18)11-36-22(35)32-7-5-23(6-8-32)12-33(13-23)21(34)15-2-4-19-20(9-15)30-31-29-19/h1,3,10,15H,2,4-9,11-14H2,(H,29,30,31)/t15-/m1/s1 | | Definition date: | 2023-06-23 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate |
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 | | Y3W | | Name: | 3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutyl 2,2-dimethylpropanoate | | Formula: | C18 H28 O3 | | SMILES: | Oc1cc(C)cc(C)c1C(C)(C)CCOC(=O)C(C)(C)C | | InChi: | InChI=1S/C18H28O3/c1-12-10-13(2)15(14(19)11-12)18(6,7)8-9-21-16(20)17(3,4)5/h10-11,19H,8-9H2,1-7H3 | | Definition date: | 2023-06-09 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutyl 2,2-dimethylpropanoate |
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 | | ZIW | | Name: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine | | Formula: | C18 H19 Cl N4 O3 S | | SMILES: | O=S(=O)(N1Cc2nc(NC3Cc4ccc(Cl)cc4C3)ncc2C1)C1COC1 | | InChi: | InChI=1S/C18H19ClN4O3S/c19-14-2-1-11-4-15(5-12(11)3-14)21-18-20-6-13-7-23(8-17(13)22-18)27(24,25)16-9-26-10-16/h1-3,6,15-16H,4-5,7-10H2,(H,20,21,22)/t15-/m0/s1 | | Definition date: | 2023-06-23 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine |
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 | | Y40 | | Name: | [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(2-methoxyethoxy)quinolin-2-yl]methanone | | Formula: | C28 H28 N6 O4 | | SMILES: | COCCOc1cc(nc2ccccc12)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C28H28N6O4/c1-37-8-9-38-26-11-25(29-22-5-3-2-4-17(22)26)28(36)34-14-20-18-12-33(13-19(18)21(20)15-34)27(35)16-6-7-23-24(10-16)31-32-30-23/h2-7,10-11,18-21H,8-9,12-15H2,1H3,(H,30,31,32) | | Definition date: | 2023-06-09 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(2-methoxyethoxy)quinolin-2-yl]methanone |
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 | | Y4C | | Name: | N~1~-(4-butylphenyl)-N~2~-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}ethanediamide | | Formula: | C25 H34 N4 O4 S | | SMILES: | O=S(=O)(c1ccc(C)cc1)N1CCN(CCNC(=O)C(=O)Nc2ccc(CCCC)cc2)CC1 | | InChi: | InChI=1S/C25H34N4O4S/c1-3-4-5-21-8-10-22(11-9-21)27-25(31)24(30)26-14-15-28-16-18-29(19-17-28)34(32,33)23-12-6-20(2)7-13-23/h6-13H,3-5,14-19H2,1-2H3,(H,26,30)(H,27,31) | | Definition date: | 2023-06-11 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N~1~-(4-butylphenyl)-N~2~-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}ethanediamide |
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 | | Y4N | | Name: | N-[(3,4-dichlorophenyl)methyl]-2-{4-oxo-6-[4-(4-sulfamoylbutanoyl)piperazin-1-yl]quinazolin-3(4H)-yl}acetamide | | Formula: | C25 H28 Cl2 N6 O5 S | | SMILES: | O=C(CCCS(N)(=O)=O)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C=Nc2cc1 | | InChi: | InChI=1S/C25H28Cl2N6O5S/c26-20-5-3-17(12-21(20)27)14-29-23(34)15-33-16-30-22-6-4-18(13-19(22)25(33)36)31-7-9-32(10-8-31)24(35)2-1-11-39(28,37)38/h3-6,12-13,16H,1-2,7-11,14-15H2,(H,29,34)(H2,28,37,38) | | Definition date: | 2023-06-11 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-[(3,4-dichlorophenyl)methyl]-2-{4-oxo-6-[4-(4-sulfamoylbutanoyl)piperazin-1-yl]quinazolin-3(4H)-yl}acetamide |
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 | | Y4R | | Name: | 2-[(2-tert-butyl-4-cyano-5-methylphenoxy)methyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile | | Formula: | C21 H24 N4 O2 | | SMILES: | CC(C)(C)c1cc(C#N)c(C)cc1OCc1nc(C#N)c(o1)N1CCCC1 | | InChi: | InChI=1S/C21H24N4O2/c1-14-9-18(16(21(2,3)4)10-15(14)11-22)26-13-19-24-17(12-23)20(27-19)25-7-5-6-8-25/h9-10H,5-8,13H2,1-4H3 | | Definition date: | 2023-06-11 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-[(2-tert-butyl-4-cyano-5-methylphenoxy)methyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile |
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 | | Y4W | | Name: | 1-[4-({7-[(3,4-difluorophenyl)methyl]-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl}amino)benzoyl]piperidine-4-sulfonamide | | Formula: | C25 H25 F2 N7 O4 S | | SMILES: | NS(=O)(=O)C1CCN(CC1)C(=O)c1ccc(cc1)Nc1ncc2c(n1)N(C)C(=O)N2Cc1ccc(F)c(F)c1 | | InChi: | InChI=1S/C25H25F2N7O4S/c1-32-22-21(34(25(32)36)14-15-2-7-19(26)20(27)12-15)13-29-24(31-22)30-17-5-3-16(4-6-17)23(35)33-10-8-18(9-11-33)39(28,37)38/h2-7,12-13,18H,8-11,14H2,1H3,(H2,28,37,38)(H,29,30,31) | | Definition date: | 2023-06-11 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 1-[4-({7-[(3,4-difluorophenyl)methyl]-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl}amino)benzoyl]piperidine-4-sulfonamide |
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 | | Y4Z | | Name: | 10-{[3-(trifluoromethoxy)phenyl]methyl}-3,4,5,10-tetrahydroazepino[3,4-b]indole-2(1H)-carboxamide | | Formula: | C21 H20 F3 N3 O2 | | SMILES: | FC(F)(F)Oc1cccc(c1)Cn1c2ccccc2c2CCCN(Cc12)C(N)=O | | InChi: | InChI=1S/C21H20F3N3O2/c22-21(23,24)29-15-6-3-5-14(11-15)12-27-18-9-2-1-7-16(18)17-8-4-10-26(20(25)28)13-19(17)27/h1-3,5-7,9,11H,4,8,10,12-13H2,(H2,25,28) | | Definition date: | 2023-06-11 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 10-{[3-(trifluoromethoxy)phenyl]methyl}-3,4,5,10-tetrahydroazepino[3,4-b]indole-2(1H)-carboxamide |
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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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 | | 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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 | | 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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 | | 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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 | | 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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 | | Y76 | | Name: | 2-chloro-7-[(4-fluorophenyl)methyl]-9-methyl-7,9-dihydro-8H-purin-8-one | | Formula: | C13 H10 Cl F N4 O | | SMILES: | Fc1ccc(cc1)CN1c2cnc(Cl)nc2N(C)C1=O | | InChi: | InChI=1S/C13H10ClFN4O/c1-18-11-10(6-16-12(14)17-11)19(13(18)20)7-8-2-4-9(15)5-3-8/h2-6H,7H2,1H3 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-chloro-7-[(4-fluorophenyl)methyl]-9-methyl-7,9-dihydro-8H-purin-8-one |
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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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 | | A1D6T | | Name: | ~{N}-[3-[1-[[4-[3,4-bis(fluoranyl)phenoxy]phenyl]methyl]piperidin-4-yl]-4-methyl-phenyl]-2-methyl-propanamide | | Formula: | C29 H32 F2 N2 O2 | | SMILES: | CC(C)C(=O)Nc1ccc(C)c(c1)C2CCN(CC2)Cc3ccc(Oc4ccc(F)c(F)c4)cc3 | | InChi: | InChI=1S/C29H32F2N2O2/c1-19(2)29(34)32-23-7-4-20(3)26(16-23)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-27(30)28(31)17-25/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34) | | Synonyms: | SNAP-94847 | | Definition date: | 2024-03-15 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | ~{N}-[3-[1-[[4-[3,4-bis(fluoranyl)phenoxy]phenyl]methyl]piperidin-4-yl]-4-methyl-phenyl]-2-methyl-propanamide |
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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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 | | Y7I | | Name: | (3,5-dichlorophenyl)methyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate | | Formula: | C17 H20 Cl2 N2 O3 | | SMILES: | CC(=O)N1CC2(CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)C1 | | InChi: | InChI=1S/C17H20Cl2N2O3/c1-12(22)21-10-17(11-21)2-4-20(5-3-17)16(23)24-9-13-6-14(18)8-15(19)7-13/h6-8H,2-5,9-11H2,1H3 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (3,5-dichlorophenyl)methyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate |
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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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 | | Y7X | | Name: | 3-bromo-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine | | Formula: | C11 H7 Br F3 N3 | | SMILES: | Brc1nc(cnc1N)c1ccc(cc1)C(F)(F)F | | InChi: | InChI=1S/C11H7BrF3N3/c12-9-10(16)17-5-8(18-9)6-1-3-7(4-2-6)11(13,14)15/h1-5H,(H2,16,17) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-bromo-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine |
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 | | Y85 | | Name: | 2-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyridine | | Formula: | C17 H20 Cl N O | | SMILES: | CC(C)(C)c1cc(Cl)c(C)cc1OCc1ccccn1 | | InChi: | InChI=1S/C17H20ClNO/c1-12-9-16(14(10-15(12)18)17(2,3)4)20-11-13-7-5-6-8-19-13/h5-10H,11H2,1-4H3 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyridine |
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