 | | KJC | | Name: | 6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | | Formula: | C22 H26 N8 O3 | | SMILES: | O=C(NCC(C)(C)O)c1nn(C)cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1 | | InChi: | InChI=1S/C22H26N8O3/c1-22(2,33)11-25-20(31)19-17(10-30(3)29-19)28-21(32)18-16(26-14-8-23-12-24-9-14)7-6-15(27-18)13-4-5-13/h6-10,12-13,26,33H,4-5,11H2,1-3H3,(H,25,31)(H,28,32) | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide |
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 | | B9I | | Name: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid | | Formula: | C26 H20 O11 | | SMILES: | O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc3c(Oc4cc(O)ccc4[C]35OC(=O)c6ccccc56)c2 | | InChi: | InChI=1S/C26H20O11/c27-11-5-7-15-17(9-11)35-18-10-12(34-25-21(30)19(28)20(29)22(36-25)23(31)32)6-8-16(18)26(15)14-4-2-1-3-13(14)24(33)37-26/h1-10,19-22,25,27-30H,(H,31,32)/t19-,20-,21+,22-,25+,26+/m0/s1 | | Definition date: | 2021-12-07 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid |
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 | | I00 | | Name: | ~{N}-(oxan-4-yl)-5-(3-oxidanylidenepropyl)thiophene-3-carboxamide | | Formula: | C13 H17 N O3 S | | SMILES: | O=CCCc1scc(c1)C(=O)NC2CCOCC2 | | InChi: | InChI=1S/C13H17NO3S/c15-5-1-2-12-8-10(9-18-12)13(16)14-11-3-6-17-7-4-11/h5,8-9,11H,1-4,6-7H2,(H,14,16) | | Synonyms: | TAK-418 derivertive | | Definition date: | 2022-05-27 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | ~{N}-(oxan-4-yl)-5-(3-oxidanylidenepropyl)thiophene-3-carboxamide |
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 | | EIK | | Name: | 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | | Formula: | C19 H20 N6 | | SMILES: | Cn1cc(nc1CCc2nn3c(C)cnc(C)c3n2)c4ccccc4 | | InChi: | InChI=1S/C19H20N6/c1-13-11-20-14(2)19-22-17(23-25(13)19)9-10-18-21-16(12-24(18)3)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3 | | Definition date: | 2022-01-06 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine |
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 | | LVL | | Name: | 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile | | Formula: | C11 H7 F3 N2 | | SMILES: | FC(F)(F)c1ccc2[nH]cc(CC#N)c2c1 | | InChi: | InChI=1S/C11H7F3N2/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3H2 | | Definition date: | 2022-07-14 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 2-[5-(trifluoromethyl)-1~{H}-indol-3-yl]ethanenitrile |
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 | | LW3 | | Name: | 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile | | Formula: | C9 H5 Br Cl N3 | | SMILES: | Clc1cc2[nH]nc(CC#N)c2cc1Br | | InChi: | InChI=1S/C9H5BrClN3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14) | | Definition date: | 2022-07-14 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 2-(5-bromanyl-6-chloranyl-1~{H}-indazol-3-yl)ethanenitrile |
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 | | AQX | | Name: | N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide | | Formula: | C19 H13 Br F N5 O2 S | | SMILES: | Brc1ccc(cc1)NC(=O)CSC1=Nc2c(cnn2c2ccc(F)cc2)C(=O)N1 | | InChi: | InChI=1S/C19H13BrFN5O2S/c20-11-1-5-13(6-2-11)23-16(27)10-29-19-24-17-15(18(28)25-19)9-22-26(17)14-7-3-12(21)4-8-14/h1-9H,10H2,(H,23,27)(H,24,25,28) | | Definition date: | 2021-11-09 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
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 | | 7R8 | | Name: | 6-oxidanylnaphthalene-2-carboximidamide | | Formula: | C11 H10 N2 O | | SMILES: | NC(=N)c1ccc2cc(O)ccc2c1 | | InChi: | InChI=1S/C11H10N2O/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9/h1-6,14H,(H3,12,13) | | Definition date: | 2021-10-14 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 6-oxidanylnaphthalene-2-carboximidamide |
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 | | JDA | | Name: | 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine | | Formula: | C23 H24 N6 | | SMILES: | CC(C)c1ccccc1c2ncc(C)c(NCc3ccc(cc3)n4ccnn4)n2 | | InChi: | InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27) | | Definition date: | 2022-04-26 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine |
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 | | JDU | | Name: | 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-(pyrimidin-5-yl)-1,2-dihydropyridine-3-carboxamide | | Formula: | C22 H19 N5 O3 | | SMILES: | O=C(Nc1cncnc1)C1=CC=CN(CCc2nc(oc2C)c2ccccc2)C1=O | | InChi: | InChI=1S/C22H19N5O3/c1-15-19(26-21(30-15)16-6-3-2-4-7-16)9-11-27-10-5-8-18(22(27)29)20(28)25-17-12-23-14-24-13-17/h2-8,10,12-14H,9,11H2,1H3,(H,25,28) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-(pyrimidin-5-yl)-1,2-dihydropyridine-3-carboxamide |
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 | | JFG | | Name: | 3,6-dimethyl-N-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]pyridine-2-carboxamide | | Formula: | C21 H18 N4 O | | SMILES: | Cc1ccc(C)nc1C(=O)Nc1cn2nc(cc2cc1)c1ccccc1 | | InChi: | InChI=1S/C21H18N4O/c1-14-8-9-15(2)22-20(14)21(26)23-17-10-11-18-12-19(24-25(18)13-17)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,26) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 3,6-dimethyl-N-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]pyridine-2-carboxamide |
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 | | JFO | | Name: | (10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amine | | Formula: | C17 H14 Cl N5 O | | SMILES: | Clc1ccccc1c1nc(C)c2c(N)nc3ccc(OC)nc3n21 | | InChi: | InChI=1S/C17H14ClN5O/c1-9-14-15(19)21-12-7-8-13(24-2)22-17(12)23(14)16(20-9)10-5-3-4-6-11(10)18/h3-8H,1-2H3,(H2,19,21) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amine |
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 | | JFW | | Name: | 7-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole | | Formula: | C17 H16 N4 O S2 | | SMILES: | Cc1c(OC)c(C)cnc1CSc1nc2ccc3ncsc3c2[NH]1 | | InChi: | InChI=1S/C17H16N4OS2/c1-9-6-18-13(10(2)15(9)22-3)7-23-17-20-11-4-5-12-16(14(11)21-17)24-8-19-12/h4-6,8H,7H2,1-3H3,(H,20,21) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 7-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole |
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 | | JG9 | | Name: | (4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine | | Formula: | C22 H24 N4 | | SMILES: | Cn1cc(nc1CCc1ccc2nc(C)c(C)n2c1C)c1ccccc1 | | InChi: | InChI=1S/C22H24N4/c1-15-16(2)26-17(3)18(11-13-22(26)23-15)10-12-21-24-20(14-25(21)4)19-8-6-5-7-9-19/h5-9,11,13-14H,10,12H2,1-4H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine |
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 | | JGI | | Name: | 4-(azetidine-1-carbonyl)-1-methyl-N-[3-(phenylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide | | Formula: | C22 H21 N5 O3 | | SMILES: | O=C(c1cnn(C)c1C(=O)Nc1cc(ccc1)C(=O)Nc1ccccc1)N1CCC1 | | InChi: | InChI=1S/C22H21N5O3/c1-26-19(18(14-23-26)22(30)27-11-6-12-27)21(29)25-17-10-5-7-15(13-17)20(28)24-16-8-3-2-4-9-16/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,24,28)(H,25,29) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 4-(azetidine-1-carbonyl)-1-methyl-N-[3-(phenylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide |
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 | | JH6 | | Name: | N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine | | Formula: | C19 H15 N5 | | SMILES: | Cc1cccc(n1)Nc1ncc(c2cccnc21)c1cccnc1 | | InChi: | InChI=1S/C19H15N5/c1-13-5-2-8-17(23-13)24-19-18-15(7-4-10-21-18)16(12-22-19)14-6-3-9-20-11-14/h2-12H,1H3,(H,22,23,24) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine |
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 | | JHI | | Name: | (4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine | | Formula: | C12 H15 Cl N4 | | SMILES: | Cc1c(C)nc2c(cc(Cl)nn12)N1CCCC1 | | InChi: | InChI=1S/C12H15ClN4/c1-8-9(2)17-12(14-8)10(7-11(13)15-17)16-5-3-4-6-16/h7H,3-6H2,1-2H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine |
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 | | JHX | | Name: | N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-methoxypyrazine-2-carboxamide | | Formula: | C18 H20 Cl N5 O2 | | SMILES: | COc1ncc(nc1C(=O)NC1CCN(C1)c1ncc(Cl)cc1)C1CC1 | | InChi: | InChI=1S/C18H20ClN5O2/c1-26-18-16(23-14(9-21-18)11-2-3-11)17(25)22-13-6-7-24(10-13)15-5-4-12(19)8-20-15/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,22,25) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-methoxypyrazine-2-carboxamide |
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 | | JI8 | | Name: | ~{N}4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2-methyl-~{N}3-(2-phenyl-3~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-3,4-dicarboxamide | | Formula: | C22 H23 N8 O3 | | SMILES: | CN1NCC(=C1C(=O)Nc2cc[n]3CC(=Nc3n2)c4ccccc4)C(=O)NCC5=NCCO5 | | InChi: | InChI=1S/C22H23N8O3/c1-29-19(15(11-25-29)20(31)24-12-18-23-8-10-33-18)21(32)27-17-7-9-30-13-16(26-22(30)28-17)14-5-3-2-4-6-14/h2-7,9,25H,8,10-13H2,1H3,(H,24,31)(H,27,28,32) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | ~{N}4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2-methyl-~{N}3-(2-phenyl-3~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-3,4-dicarboxamide |
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 | | JIC | | Name: | N~4~-cyclopropyl-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide | | Formula: | C22 H20 N6 O2 | | SMILES: | O=C(NC1CC1)c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1 | | InChi: | InChI=1S/C22H20N6O2/c1-27-20(17(12-23-27)21(29)24-15-7-8-15)22(30)25-16-9-10-28-13-18(26-19(28)11-16)14-5-3-2-4-6-14/h2-6,9-13,15H,7-8H2,1H3,(H,24,29)(H,25,30) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N~4~-cyclopropyl-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide |
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 | | JIG | | Name: | 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-h]quinoline | | Formula: | C19 H18 N4 O S | | SMILES: | Cc1c(OC)c(C)cnc1CSc1nc2ccc3cccnc3c2[NH]1 | | InChi: | InChI=1S/C19H18N4OS/c1-11-9-21-15(12(2)18(11)24-3)10-25-19-22-14-7-6-13-5-4-8-20-16(13)17(14)23-19/h4-9H,10H2,1-3H3,(H,22,23) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-h]quinoline |
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 | | JIJ | | Name: | 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C10 H12 N4 | | SMILES: | n1cnc(c2cc[NH]c12)N1CCCC1 | | InChi: | InChI=1S/C10H12N4/c1-2-6-14(5-1)10-8-3-4-11-9(8)12-7-13-10/h3-4,7H,1-2,5-6H2,(H,11,12,13) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine |
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 | | JIS | | Name: | 3-[(naphthalen-1-yl)methyl]-7-(piperidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine | | Formula: | C20 H20 N6 | | SMILES: | n1cnc2c(nnn2Cc2cccc3ccccc32)c1N1CCCCC1 | | InChi: | InChI=1S/C20H20N6/c1-4-11-25(12-5-1)19-18-20(22-14-21-19)26(24-23-18)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10,14H,1,4-5,11-13H2 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 3-[(naphthalen-1-yl)methyl]-7-(piperidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
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 | | JIV | | Name: | (4S)-8-chloro-5,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine | | Formula: | C16 H21 Cl N8 | | SMILES: | Cn1nc(nc1CCc1nc2c(Cl)c(C)nc(C)n2n1)N1CCCC1 | | InChi: | InChI=1S/C16H21ClN8/c1-10-14(17)15-19-12(21-25(15)11(2)18-10)6-7-13-20-16(22-23(13)3)24-8-4-5-9-24/h4-9H2,1-3H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4S)-8-chloro-5,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine |
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 | | JIY | | Name: | 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1,5,6,7-tetrahydroimidazo[4,5-f]indole | | Formula: | C18 H20 N4 O S | | SMILES: | Cc1c(OC)c(C)cnc1CSc1nc2cc3NCCc3cc2[NH]1 | | InChi: | InChI=1S/C18H20N4OS/c1-10-8-20-16(11(2)17(10)23-3)9-24-18-21-14-6-12-4-5-19-13(12)7-15(14)22-18/h6-8,19H,4-5,9H2,1-3H3,(H,21,22) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1,5,6,7-tetrahydroimidazo[4,5-f]indole |
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