 | | A1A1A | | Name: | 4-[(1R)-1-aminopropyl]-6-methoxy-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one | | Formula: | C22 H26 N6 O2 | | SMILES: | CC(C)n1cnnc1c1cccc(n1)N1Cc2c(cc(cc2C(N)CC)OC)C1=O | | InChi: | InChI=1S/C22H26N6O2/c1-5-18(23)15-9-14(30-4)10-16-17(15)11-27(22(16)29)20-8-6-7-19(25-20)21-26-24-12-28(21)13(2)3/h6-10,12-13,18H,5,11,23H2,1-4H3/t18-/m1/s1 | | Definition date: | 2024-08-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-[(1R)-1-aminopropyl]-6-methoxy-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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 | | A1A1B | | Name: | 4-[(1R)-1-aminopropyl]-2-{6-[(4S,5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-yl}-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one | | Formula: | C26 H32 N8 O | | SMILES: | CC1CCc2nnc(n21)c1cccc(n1)N1Cc2c(cc(nc2C(N)CC)N2CCCC2C)C1=O | | InChi: | InChI=1S/C26H32N8O/c1-4-19(27)24-18-14-33(26(35)17(18)13-23(29-24)32-12-6-7-15(32)2)21-9-5-8-20(28-21)25-31-30-22-11-10-16(3)34(22)25/h5,8-9,13,15-16,19H,4,6-7,10-12,14,27H2,1-3H3/t15-,16+,19-/m1/s1 | | Definition date: | 2024-08-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-[(1R)-1-aminopropyl]-2-{6-[(4S,5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-yl}-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one |
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 | | 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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 | | 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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 | | A1ARZ | | Name: | 2-methyl-2-{5-[(3-{4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl}prop-2-yn-1-yl)amino]pyridin-2-yl}propanenitrile | | Formula: | C28 H31 F3 N6 | | SMILES: | CN1CCC(Nc2cccc3n(CC(F)(F)F)c(C#CCNc4ccc(nc4)C(C)(C)C#N)cc23)CC1 | | InChi: | InChI=1S/C28H31F3N6/c1-27(2,18-32)26-10-9-21(17-34-26)33-13-5-6-22-16-23-24(35-20-11-14-36(3)15-12-20)7-4-8-25(23)37(22)19-28(29,30)31/h4,7-10,16-17,20,33,35H,11-15,19H2,1-3H3 | | Definition date: | 2024-05-14 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-methyl-2-{5-[(3-{4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl}prop-2-yn-1-yl)amino]pyridin-2-yl}propanenitrile |
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 | | 33B | | Name: | 3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid} | | Formula: | C16 H14 Cl2 N4 O8 S2 | | SMILES: | ClCC(=O)Nc2ccc(/N=N/c1cc(c(NC(=O)CCl)cc1)S(=O)(=O)O)cc2S(=O)(=O)O | | InChi: | InChI=1S/C16H14Cl2N4O8S2/c17-7-15(23)19-11-3-1-9(5-13(11)31(25,26)27)21-22-10-2-4-12(20-16(24)8-18)14(6-10)32(28,29)30/h1-6H,7-8H2,(H,19,23)(H,20,24)(H,25,26,27)(H,28,29,30)/b22-21+ | | Definition date: | 2012-02-27 | | Last modified: | 2024-12-10 | | Identifier: | 3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid} |
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 | | U1C | | Name: | Dantrolene | | Formula: | C14 H10 N4 O5 | | SMILES: | [O-][N+](=O)c1ccc(cc1)c1ccc(C=N/N2CC(=O)NC2=O)o1 | | InChi: | InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7- | | Synonyms: | 1-[(Z)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]imidazolidine-2,4-dione | | Definition date: | 2022-08-01 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | 1-[(Z)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]imidazolidine-2,4-dione |
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 | | YHE | | Name: | (2E)-3-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid | | Formula: | C18 H15 N O3 | | SMILES: | O=C(O)/C=C/c1cc2c(onc2cc1)c1cc(C)cc(C)c1 | | InChi: | InChI=1S/C18H15NO3/c1-11-7-12(2)9-14(8-11)18-15-10-13(4-6-17(20)21)3-5-16(15)19-22-18/h3-10H,1-2H3,(H,20,21)/b6-4+ | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (2E)-3-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid |
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 | | YHH | | Name: | (1S,2S)-2-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]cyclopropane-1-carboxylic acid | | Formula: | C19 H17 N O3 | | SMILES: | O=C(O)C1CC1c1cc2c(onc2cc1)c1cc(C)cc(C)c1 | | InChi: | InChI=1S/C19H17NO3/c1-10-5-11(2)7-13(6-10)18-16-8-12(3-4-17(16)20-23-18)14-9-15(14)19(21)22/h3-8,14-15H,9H2,1-2H3,(H,21,22)/t14-,15+/m1/s1 | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (1S,2S)-2-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]cyclopropane-1-carboxylic acid |
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 | | YHN | | Name: | 3-(3,5-dimethylphenyl)-2,1-benzoxazole-5-carboxylic acid | | Formula: | C16 H13 N O3 | | SMILES: | O=C(O)c1cc2c(onc2cc1)c1cc(C)cc(C)c1 | | InChi: | InChI=1S/C16H13NO3/c1-9-5-10(2)7-12(6-9)15-13-8-11(16(18)19)3-4-14(13)17-20-15/h3-8H,1-2H3,(H,18,19) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | 3-(3,5-dimethylphenyl)-2,1-benzoxazole-5-carboxylic acid |
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 | | YHS | | Name: | (5P)-3-(3,5-dimethylphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole | | Formula: | C16 H13 N5 O | | SMILES: | Cc1cc(cc(C)c1)c1onc2ccc(cc12)c1nnn[NH]1 | | InChi: | InChI=1S/C16H13N5O/c1-9-5-10(2)7-12(6-9)15-13-8-11(16-17-20-21-18-16)3-4-14(13)19-22-15/h3-8H,1-2H3,(H,17,18,20,21) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (5P)-3-(3,5-dimethylphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole |
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 | | YHW | | Name: | (5P)-3-phenyl-5-(1H-tetrazol-5-yl)-2,1-benzoxazole | | Formula: | C14 H9 N5 O | | SMILES: | c1c(ccc2noc(c12)c1ccccc1)c1nnn[NH]1 | | InChi: | InChI=1S/C14H9N5O/c1-2-4-9(5-3-1)13-11-8-10(14-15-18-19-16-14)6-7-12(11)17-20-13/h1-8H,(H,15,16,18,19) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (5P)-3-phenyl-5-(1H-tetrazol-5-yl)-2,1-benzoxazole |
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 | | Y4X | | Name: | N-(1,3-benzothiazol-5-yl)-3,5-difluoro-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide | | Formula: | C27 H22 F2 N4 O3 S | | SMILES: | Oc1ccc2[NH]cc(CC(=O)NC(Cc3cc(F)cc(F)c3)C(=O)N(C)c3cc4ncsc4cc3)c2c1 | | InChi: | InChI=1S/C27H22F2N4O3S/c1-33(19-2-5-25-23(11-19)31-14-37-25)27(36)24(8-15-6-17(28)10-18(29)7-15)32-26(35)9-16-13-30-22-4-3-20(34)12-21(16)22/h2-7,10-14,24,30,34H,8-9H2,1H3,(H,32,35)/t24-/m1/s1 | | Definition date: | 2023-11-20 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | N-(1,3-benzothiazol-5-yl)-3,5-difluoro-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide |
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 | | YI8 | | Name: | (5M)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole | | Formula: | C15 H8 F3 N5 O | | SMILES: | FC(F)(F)c1ccc(cc1)c1onc2ccc(cc12)c1nnn[NH]1 | | InChi: | InChI=1S/C15H8F3N5O/c16-15(17,18)10-4-1-8(2-5-10)13-11-7-9(14-19-22-23-20-14)3-6-12(11)21-24-13/h1-7H,(H,19,20,22,23) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (5M)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole |
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 | | YIB | | Name: | (5P)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole | | Formula: | C15 H8 F3 N5 O2 | | SMILES: | FC(F)(F)Oc1ccc(cc1)c1onc2ccc(cc12)c1nnn[NH]1 | | InChi: | InChI=1S/C15H8F3N5O2/c16-15(17,18)24-10-4-1-8(2-5-10)13-11-7-9(14-19-22-23-20-14)3-6-12(11)21-25-13/h1-7H,(H,19,20,22,23) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (5P)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole |
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 | | YIG | | Name: | (5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole | | Formula: | C20 H13 N5 O2 | | SMILES: | c1c(ccc2noc(c12)c1ccc(Oc2ccccc2)cc1)c1nnn[NH]1 | | InChi: | InChI=1S/C20H13N5O2/c1-2-4-15(5-3-1)26-16-9-6-13(7-10-16)19-17-12-14(20-21-24-25-22-20)8-11-18(17)23-27-19/h1-12H,(H,21,22,24,25) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole |
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 | | YIK | | Name: | N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide | | Formula: | C18 H14 N6 O2 | | SMILES: | O=C(Nc1cccc(c1)c1onc2ccc(cc12)c1n[NH]nn1)C1CC1 | | InChi: | InChI=1S/C18H14N6O2/c25-18(10-4-5-10)19-13-3-1-2-11(8-13)16-14-9-12(17-20-23-24-21-17)6-7-15(14)22-26-16/h1-3,6-10H,4-5H2,(H,19,25)(H,20,21,23,24) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide |
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 | | YIU | | Name: | N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopentanecarboxamide | | Formula: | C20 H18 N6 O2 | | SMILES: | O=C(Nc1cccc(c1)c1onc2ccc(cc12)c1n[NH]nn1)C1CCCC1 | | InChi: | InChI=1S/C20H18N6O2/c27-20(12-4-1-2-5-12)21-15-7-3-6-13(10-15)18-16-11-14(19-22-25-26-23-19)8-9-17(16)24-28-18/h3,6-12H,1-2,4-5H2,(H,21,27)(H,22,23,25,26) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopentanecarboxamide |
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 | | YJ3 | | Name: | (3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole | | Formula: | C19 H18 N6 O2 | | SMILES: | c1c(ccc2noc(c12)c1cccc(OC2CCNCC2)c1)c1n[NH]nn1 | | InChi: | InChI=1S/C19H18N6O2/c1-2-12(10-15(3-1)26-14-6-8-20-9-7-14)18-16-11-13(19-21-24-25-22-19)4-5-17(16)23-27-18/h1-5,10-11,14,20H,6-9H2,(H,21,22,24,25) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole |
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 | | YJB | | Name: | (3P,5M)-3-{3-[(3,5-dichloropyridin-2-yl)oxy]phenyl}-5-(1H-tetrazol-5-yl)-2,1-benzoxazole | | Formula: | C19 H10 Cl2 N6 O2 | | SMILES: | Clc1cc(Cl)cnc1Oc1cccc(c1)c1onc2ccc(cc12)c1nnn[NH]1 | | InChi: | InChI=1S/C19H10Cl2N6O2/c20-12-8-15(21)19(22-9-12)28-13-3-1-2-10(6-13)17-14-7-11(18-23-26-27-24-18)4-5-16(14)25-29-17/h1-9H,(H,23,24,26,27) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (3P,5M)-3-{3-[(3,5-dichloropyridin-2-yl)oxy]phenyl}-5-(1H-tetrazol-5-yl)-2,1-benzoxazole |
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 | | YJH | | Name: | (3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole | | Formula: | C23 H24 N6 O | | SMILES: | c1c(ccc2noc(c12)c1cccc(c1)C1CCN(CC1)C1CCC1)c1nnn[NH]1 | | InChi: | InChI=1S/C23H24N6O/c1-3-16(15-9-11-29(12-10-15)19-5-2-6-19)13-17(4-1)22-20-14-18(23-24-27-28-25-23)7-8-21(20)26-30-22/h1,3-4,7-8,13-15,19H,2,5-6,9-12H2,(H,24,25,27,28) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole |
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 | | Y6C | | Name: | 4-oxidanylidene-4-(1,10-phenanthrolin-5-ylamino)but-2-enoic acid | | Formula: | C16 H11 N3 O3 | | SMILES: | OC(=O)C=CC(=O)Nc1cc2cccnc2c3ncccc13 | | InChi: | InChI=1S/C16H11N3O3/c20-13(5-6-14(21)22)19-12-9-10-3-1-7-17-15(10)16-11(12)4-2-8-18-16/h1-9H,(H,19,20)(H,21,22)/b6-5- | | Definition date: | 2023-12-11 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | 4-oxidanylidene-4-(1,10-phenanthrolin-5-ylamino)but-2-enoic acid |
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 | | YJQ | | Name: | N-{4-[(5P)-5-(1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide | | Formula: | C18 H14 N6 O2 | | SMILES: | O=C(Nc1ccc(cc1)c1onc2ccc(cc12)c1nnn[NH]1)C1CC1 | | InChi: | InChI=1S/C18H14N6O2/c25-18(11-1-2-11)19-13-6-3-10(4-7-13)16-14-9-12(17-20-23-24-21-17)5-8-15(14)22-26-16/h3-9,11H,1-2H2,(H,19,25)(H,20,21,23,24) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | N-{4-[(5P)-5-(1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide |
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 | | YOE | | Name: | nalterxone | | Formula: | C20 H23 N O4 | | SMILES: | O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c54 | | InChi: | InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20+/m0/s1 | | Definition date: | 2023-12-07 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | 17-(cyclopropylmethyl)-3,14-dihydroxy-5beta,9alpha,13alpha-4,5-epoxymorphinan-6-one |
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 | | ZX3 | | Name: | 3^3-ethyl-5^4-morpholino-6,9-dioxa-2,4-diaza-3(2,6)-pyrazina-1(4,1)-piperidina-5(1,3)-benzenacycloundecaphane-3^5-carboxamide | | Formula: | C26 H37 N7 O4 | | SMILES: | CCc1nc(C(N)=O)c2Nc3ccc(N4CCOCC4)c(OCCOCCN5CCC(CC5)Nc1n2)c3 | | InChi: | InChI=1S/C26H37N7O4/c1-2-20-25-28-18-5-7-32(8-6-18)9-12-36-15-16-37-22-17-19(29-26(31-25)23(30-20)24(27)34)3-4-21(22)33-10-13-35-14-11-33/h3-4,17-18H,2,5-16H2,1H3,(H2,27,34)(H2,28,29,31) | | Definition date: | 2023-12-13 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 |
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