 | | A1A1E | | Name: | 4-(aminomethyl)-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one | | Formula: | C19 H20 N6 O | | SMILES: | CC(C)n1cnnc1c1cccc(n1)N1Cc2c(cccc2CN)C1=O | | InChi: | InChI=1S/C19H20N6O/c1-12(2)25-11-21-23-18(25)16-7-4-8-17(22-16)24-10-15-13(9-20)5-3-6-14(15)19(24)26/h3-8,11-12H,9-10,20H2,1-2H3 | | Definition date: | 2024-08-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-(aminomethyl)-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one |
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 | | A1A1P | | Name: | (12'R)-4'-chloro-9'-(piperidin-4-yl)-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-5'-one | | Formula: | C25 H26 Cl N3 O | | SMILES: | Clc1cccc2c1C(=O)N=C1N2c2ccc(cc2C21CCCCC2)C1CCNCC1 | | InChi: | InChI=1S/C25H26ClN3O/c26-19-5-4-6-21-22(19)23(30)28-24-25(11-2-1-3-12-25)18-15-17(7-8-20(18)29(21)24)16-9-13-27-14-10-16/h4-8,15-16,27H,1-3,9-14H2 | | Definition date: | 2024-08-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (12'R)-4'-chloro-9'-(piperidin-4-yl)-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-5'-one |
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 | | A1A1Q | | Name: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide | | Formula: | C28 H26 Cl2 F2 N4 O3 | | SMILES: | O=C(/C=C/c1[NH]cc(C(=O)NC(CC(N)=O)c2ccc(F)c(Cl)c2)c1c1ccc(Cl)cc1F)N1CCCCC1 | | InChi: | InChI=1S/C28H26Cl2F2N4O3/c29-17-5-6-18(22(32)13-17)27-19(15-34-23(27)8-9-26(38)36-10-2-1-3-11-36)28(39)35-24(14-25(33)37)16-4-7-21(31)20(30)12-16/h4-9,12-13,15,24,34H,1-3,10-11,14H2,(H2,33,37)(H,35,39)/b9-8+/t24-/m0/s1 | | Definition date: | 2024-08-13 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide |
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 | | WJN | | Name: | 4-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide | | Formula: | C14 H12 F3 N3 O3 S | | SMILES: | O=S(N)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 | | InChi: | InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21) | | Definition date: | 2023-10-05 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide |
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 | | X7X | | Name: | [(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone | | Formula: | C28 H32 N6 O4 | | SMILES: | O=C(c1ccc2[NH]nnc2c1)N1CC2CN(CC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 | | InChi: | InChI=1S/C28H32N6O4/c35-27(19-3-4-23-25(9-19)31-32-30-23)33-12-21-14-34(15-22(21)13-33)28(36)20-10-24(18-1-2-18)29-26(11-20)38-16-17-5-7-37-8-6-17/h3-4,9-11,17-18,21-22H,1-2,5-8,12-16H2,(H,30,31,32) | | Definition date: | 2023-06-05 | | 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-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone |
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 | | X82 | | Name: | (2E)-1-[(3aR,8aS)-2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one | | Formula: | C25 H28 F3 N5 O3 | | SMILES: | FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)C1CCc2[NH]nnc2C1 | | InChi: | InChI=1S/C25H28F3N5O3/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/h1-3,5-6,8,17-19H,4,7,9-15H2,(H,29,30,31) | | Definition date: | 2023-06-05 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (2E)-1-[(3aR,8aS)-2-[(5R)-4,5,6,7-tetrahydro-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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 | | XDB | | Name: | 3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}sulfanyl)benzene-1-sulfonamide | | Formula: | C25 H28 F4 N6 O3 S2 | | SMILES: | NS(=O)(=O)c1ccc(SCC2CCN(CC2)C(=O)CCc2ccc(cc2Cn2nc(C)nn2)C(F)(F)F)c(F)c1 | | InChi: | InChI=1S/C25H28F4N6O3S2/c1-16-31-33-35(32-16)14-19-12-20(25(27,28)29)4-2-18(19)3-7-24(36)34-10-8-17(9-11-34)15-39-23-6-5-21(13-22(23)26)40(30,37)38/h2,4-6,12-13,17H,3,7-11,14-15H2,1H3,(H2,30,37,38) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}sulfanyl)benzene-1-sulfonamide |
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 | | XE8 | | Name: | 5-{[2-tert-butyl-4-(methanesulfonyl)phenoxy]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | | Formula: | C15 H21 N3 O4 S | | SMILES: | CS(=O)(=O)c1ccc(OCC2=NNC(=O)N2C)c(c1)C(C)(C)C | | InChi: | InChI=1S/C15H21N3O4S/c1-15(2,3)11-8-10(23(5,20)21)6-7-12(11)22-9-13-16-17-14(19)18(13)4/h6-8H,9H2,1-5H3,(H,17,19) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 5-{[2-tert-butyl-4-(methanesulfonyl)phenoxy]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
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 | | XEE | | Name: | 6-(4-acetylpiperazin-1-yl)-3-({1-[(3,4-dichlorophenyl)methyl]-1H-1,2,3-triazol-4-yl}methyl)quinazolin-4(3H)-one | | Formula: | C24 H23 Cl2 N7 O2 | | SMILES: | CC(=O)N1CCN(CC1)c1ccc2N=CN(Cc3cn(Cc4cc(Cl)c(Cl)cc4)nn3)C(=O)c2c1 | | InChi: | InChI=1S/C24H23Cl2N7O2/c1-16(34)30-6-8-31(9-7-30)19-3-5-23-20(11-19)24(35)32(15-27-23)13-18-14-33(29-28-18)12-17-2-4-21(25)22(26)10-17/h2-5,10-11,14-15H,6-9,12-13H2,1H3 | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 6-(4-acetylpiperazin-1-yl)-3-({1-[(3,4-dichlorophenyl)methyl]-1H-1,2,3-triazol-4-yl}methyl)quinazolin-4(3H)-one |
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 | | XEI | | Name: | 5-tert-butyl-2-methyl-4-[(2-oxo-1,2-dihydropyridin-3-yl)methoxy]benzonitrile | | Formula: | C18 H20 N2 O2 | | SMILES: | O=C1NC=CC=C1COc1cc(C)c(C#N)cc1C(C)(C)C | | InChi: | InChI=1S/C18H20N2O2/c1-12-8-16(15(18(2,3)4)9-14(12)10-19)22-11-13-6-5-7-20-17(13)21/h5-9H,11H2,1-4H3,(H,20,21) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 5-tert-butyl-2-methyl-4-[(2-oxo-1,2-dihydropyridin-3-yl)methoxy]benzonitrile |
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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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | XG6 | | Name: | [4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate | | Formula: | C22 H22 F3 N5 O5 | | SMILES: | FC(F)(F)Oc1ccc(cc1)COC(=O)N1CCC(O)(CC1)CNC(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C22H22F3N5O5/c23-22(24,25)35-16-4-1-14(2-5-16)12-34-20(32)30-9-7-21(33,8-10-30)13-26-19(31)15-3-6-17-18(11-15)28-29-27-17/h1-6,11,33H,7-10,12-13H2,(H,26,31)(H,27,28,29) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate |
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 | | XG9 | | Name: | 4-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyrimidine | | Formula: | C16 H19 Cl N2 O | | SMILES: | CC(C)(C)c1cc(Cl)c(C)cc1OCc1ccncn1 | | InChi: | InChI=1S/C16H19ClN2O/c1-11-7-15(13(8-14(11)17)16(2,3)4)20-9-12-5-6-18-10-19-12/h5-8,10H,9H2,1-4H3 | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyrimidine |
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 | | XGI | | Name: | 5-tert-butyl-2-chloro-4-{[1-methyl-5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)-1H-imidazol-2-yl]methoxy}benzonitrile | | Formula: | C22 H25 Cl N4 O3 | | SMILES: | O=C(N1CCC21COC2)c1cnc(COc2cc(Cl)c(C#N)cc2C(C)(C)C)n1C | | InChi: | InChI=1S/C22H25ClN4O3/c1-21(2,3)15-7-14(9-24)16(23)8-18(15)30-11-19-25-10-17(26(19)4)20(28)27-6-5-22(27)12-29-13-22/h7-8,10H,5-6,11-13H2,1-4H3 | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 5-tert-butyl-2-chloro-4-{[1-methyl-5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)-1H-imidazol-2-yl]methoxy}benzonitrile |
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 | | XGO | | Name: | [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-cyclopropyl-6-(cyclopropylmethoxy)pyridin-2-yl]methanone | | Formula: | C28 H30 N6 O3 | | SMILES: | O=C(c1ccc(C2CC2)c(OCC2CC2)n1)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C28H30N6O3/c35-27(17-5-7-23-25(9-17)31-32-30-23)33-10-19-20(11-33)22-13-34(12-21(19)22)28(36)24-8-6-18(16-3-4-16)26(29-24)37-14-15-1-2-15/h5-9,15-16,19-22H,1-4,10-14H2,(H,30,31,32) | | Definition date: | 2023-06-06 | | 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][5-cyclopropyl-6-(cyclopropylmethoxy)pyridin-2-yl]methanone |
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 | | XGW | | Name: | [4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate | | Formula: | C22 H24 F3 N5 O4 | | SMILES: | FC(F)(F)Oc1ccc(cc1)COC(=O)N1CC2CN(CC2C1)C(=O)C1CCc2[NH]nnc2C1 | | InChi: | InChI=1S/C22H24F3N5O4/c23-22(24,25)34-17-4-1-13(2-5-17)12-33-21(32)30-10-15-8-29(9-16(15)11-30)20(31)14-3-6-18-19(7-14)27-28-26-18/h1-2,4-5,14-16H,3,6-12H2,(H,26,27,28) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate |
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 | | XH0 | | Name: | 2-{(R)-2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfinyl}-1,3-thiazole-5-sulfonamide | | Formula: | C23 H28 F3 N7 O4 S3 | | SMILES: | O=S(N)(=O)c1cnc(s1)S(=O)CCC1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F | | InChi: | InChI=1S/C23H28F3N7O4S3/c1-15-29-31-33(30-15)14-18-12-19(23(24,25)26)4-2-17(18)3-5-20(34)32-9-6-16(7-10-32)8-11-39(35)22-28-13-21(38-22)40(27,36)37/h2,4,12-13,16H,3,5-11,14H2,1H3,(H2,27,36,37)/t39-/m1/s1 | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-{(R)-2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfinyl}-1,3-thiazole-5-sulfonamide |
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