 | | O89 | | Name: | 4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline | | Formula: | C18 H20 N3 S | | SMILES: | CN(C)c1ccc(cc1)C=Nc2sc3cc(C)ccc3[n+]2C | | InChi: | InChI=1S/C18H20N3S/c1-13-5-10-16-17(11-13)22-18(21(16)4)19-12-14-6-8-15(9-7-14)20(2)3/h5-12H,1-4H3/q+1 | | Definition date: | 2022-08-30 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline |
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 | | PQU | | Name: | (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione | | Formula: | C21 H17 N3 O4 | | SMILES: | CC1(OC(=O)N(Nc2ccccc2)C1=O)c1cnc(Oc2ccccc2)cc1 | | InChi: | InChI=1S/C21H17N3O4/c1-21(15-12-13-18(22-14-15)27-17-10-6-3-7-11-17)19(25)24(20(26)28-21)23-16-8-4-2-5-9-16/h2-14,23H,1H3/t21-/m0/s1 | | Definition date: | 2021-12-22 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione |
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 | | UY9 | | Name: | 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide | | Formula: | C31 H28 F3 N7 O2 | | SMILES: | FC(F)(F)c1nn(C)cc1c1cc(Cn2ccnc2)cc2C(=O)N(CCc12)c1ccnc2c1cc(CC)cc2C(=O)NC | | InChi: | InChI=1S/C31H28F3N7O2/c1-4-18-11-23-26(5-7-37-27(23)24(12-18)29(42)35-2)41-9-6-20-21(25-16-39(3)38-28(25)31(32,33)34)13-19(14-22(20)30(41)43)15-40-10-8-36-17-40/h5,7-8,10-14,16-17H,4,6,9,15H2,1-3H3,(H,35,42) | | Definition date: | 2022-08-29 | | Last modified: | 2023-01-06 | | Release date: | 2023-01-11 | | Identifier: | 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide |
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 | | I2N | | Name: | N-[(3-chloro-5-fluorophenyl)methyl]-N-[4-(1H-imidazol-4-yl)phenyl]-2-(isoquinolin-4-yl)acetamide | | Formula: | C27 H20 Cl F N4 O | | SMILES: | Fc1cc(cc(Cl)c1)CN(c1ccc(cc1)c1c[NH]cn1)C(=O)Cc1cncc2ccccc21 | | InChi: | InChI=1S/C27H20ClFN4O/c28-22-9-18(10-23(29)12-22)16-33(24-7-5-19(6-8-24)26-15-31-17-32-26)27(34)11-21-14-30-13-20-3-1-2-4-25(20)21/h1-10,12-15,17H,11,16H2,(H,31,32) | | Definition date: | 2022-01-07 | | Last modified: | 2023-01-06 | | Release date: | 2023-01-11 | | Identifier: | N-[(3-chloro-5-fluorophenyl)methyl]-N-[4-(1H-imidazol-4-yl)phenyl]-2-(isoquinolin-4-yl)acetamide |
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 | | OOX | | Name: | 14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one | | Formula: | C18 H21 N O4 | | SMILES: | O=C1CCC2(O)C3Cc4ccc(OC)c5OC1C2(CCN3C)c54 | | InChi: | InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1 | | Synonyms: | Oxycodone | | Definition date: | 2022-03-04 | | Last modified: | 2023-01-06 | | Release date: | 2023-01-11 | | Identifier: | 14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one |
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 | | Q0X | | Name: | (Z)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one | | Formula: | C15 H12 O7 | | SMILES: | Oc1cc(O)c(c(O)c1)C(=O)C(O)=Cc2ccc(O)c(O)c2 | | InChi: | InChI=1S/C15H12O7/c16-8-5-11(19)14(12(20)6-8)15(22)13(21)4-7-1-2-9(17)10(18)3-7/h1-6,16-21H/b13-4- | | Synonyms: | taxifolin chalcone | | Definition date: | 2022-10-06 | | Last modified: | 2022-12-31 | | Release date: | 2022-11-23 | | Identifier: | (~{Z})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one |
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 | | WVE | | Name: | (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide | | Formula: | C18 H19 Cl N2 O3 S | | SMILES: | NS(=O)(=O)c1ccc2NC(C3CCCC3c2c1)c1ccc(O)cc1Cl | | InChi: | InChI=1S/C18H19ClN2O3S/c19-16-8-10(22)4-6-14(16)18-13-3-1-2-12(13)15-9-11(25(20,23)24)5-7-17(15)21-18/h4-9,12-13,18,21-22H,1-3H2,(H2,20,23,24)/t12-,13+,18-/m1/s1 | | Definition date: | 2022-10-21 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide |
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 | | WVR | | Name: | (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide | | Formula: | C18 H20 N2 O3 S | | SMILES: | NS(=O)(=O)c1ccc2NC(C3CCCC3c2c1)c1ccc(O)cc1 | | InChi: | InChI=1S/C18H20N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,14-15,18,20-21H,1-3H2,(H2,19,22,23)/t14-,15+,18+/m0/s1 | | Definition date: | 2022-10-21 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide |
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 | | WVW | | Name: | (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide | | Formula: | C18 H20 N2 O3 S | | SMILES: | NS(=O)(=O)c1ccc2NC(C3CCCC3c2c1)c1ccc(O)cc1 | | InChi: | InChI=1S/C18H20N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,14-15,18,20-21H,1-3H2,(H2,19,22,23)/t14-,15+,18+/m1/s1 | | Definition date: | 2022-10-21 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide |
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 | | XZ9 | | Name: | 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one | | Formula: | C25 H24 N8 O3 | | SMILES: | OCCC(=O)N1Cc2ccc(cc2CC1)Cn1nc(c2cc3nc(N)oc3cc2)c2c(N)ncnc21 | | InChi: | InChI=1S/C25H24N8O3/c26-23-21-22(16-3-4-19-18(10-16)30-25(27)36-19)31-33(24(21)29-13-28-23)11-14-1-2-17-12-32(20(35)6-8-34)7-5-15(17)9-14/h1-4,9-10,13,34H,5-8,11-12H2,(H2,27,30)(H2,26,28,29) | | Definition date: | 2022-12-14 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one |
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 | | WJ6 | | Name: | 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide | | Formula: | C44 H51 N13 O7 | | SMILES: | Cc1cc(n(CC)n1)C(=O)Nc1nc2cc(C(N)=O)c3oc(C)cc3c2n1CC=CCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCN3CCOCC3)c21)C(N)=O | | InChi: | InChI=1S/C44H51N13O7/c1-6-56-33(19-25(3)51-56)41(60)49-43-48-32-24-30(40(46)59)38-29(21-27(5)64-38)36(32)54(43)12-8-9-13-55-37-31(47-44(55)50-42(61)34-20-26(4)52-57(34)7-2)22-28(39(45)58)23-35(37)63-16-10-11-53-14-17-62-18-15-53/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,45,58)(H2,46,59)(H,47,50,61)(H,48,49,60)/b9-8+ | | Definition date: | 2022-09-13 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide |
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 | | K8R | | Name: | ~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide | | Formula: | C21 H24 N4 O2 S | | SMILES: | O=C(NCCCN1CCOCC1)c2csc(Nc3cccc4ccccc34)n2 | | InChi: | InChI=1S/C21H24N4O2S/c26-20(22-9-4-10-25-11-13-27-14-12-25)19-15-28-21(24-19)23-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15H,4,9-14H2,(H,22,26)(H,23,24) | | Definition date: | 2022-05-19 | | Last modified: | 2022-12-23 | | Release date: | 2022-11-16 | | Identifier: | ~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide |
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 | | OJL | | Name: | 3-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide | | Formula: | C32 H34 F3 N5 O4 | | SMILES: | CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5cc(OC)c(OC)cc54)c3)cc2C(F)(F)F)CC1 | | InChi: | InChI=1S/C32H34F3N5O4/c1-5-39-10-12-40(13-11-39)18-22-8-9-23(15-25(22)32(33,34)35)38-30(41)21-7-6-20(2)27(14-21)44-31-24-16-28(42-3)29(43-4)17-26(24)36-19-37-31/h6-9,14-17,19H,5,10-13,18H2,1-4H3,(H,38,41) | | Definition date: | 2022-05-09 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | 3-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide |
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 | | Q4C | | Name: | ~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide | | Formula: | C25 H22 Cl F3 N4 O3 | | SMILES: | Cc1cc(cnc1NC(=O)c2cc(c(F)cc2Cl)C(=O)NCc3ccc(F)c(F)c3)N4CCOCC4 | | InChi: | InChI=1S/C25H22ClF3N4O3/c1-14-8-16(33-4-6-36-7-5-33)13-30-23(14)32-25(35)17-10-18(21(28)11-19(17)26)24(34)31-12-15-2-3-20(27)22(29)9-15/h2-3,8-11,13H,4-7,12H2,1H3,(H,31,34)(H,30,32,35) | | Definition date: | 2022-10-13 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | ~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide |
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 | | E2E | | Name: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide | | Formula: | C26 H23 Cl2 F N6 O4 | | SMILES: | NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2C)c2nccc(F)c21 | | InChi: | InChI=1S/C26H23Cl2FN6O4/c1-13-12-39-5-4-35(13)21-8-20(18(28)9-32-21)33-22(36)11-34-10-16(23-19(29)2-3-31-26(23)34)14-6-15(25(30)38)24(37)17(27)7-14/h2-3,6-10,13,37H,4-5,11-12H2,1H3,(H2,30,38)(H,32,33,36)/t13-/m0/s1 | | Definition date: | 2021-12-01 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide |
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 | | N36 | | Name: | 3-ethoxy-4-hydroxybenzaldehyde | | Formula: | C9 H10 O3 | | SMILES: | CCOc1cc(ccc1O)C=O | | InChi: | InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3 | | Synonyms: | Ethyl vanillin | | Definition date: | 2022-03-23 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | 3-ethoxy-4-hydroxybenzaldehyde |
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 | | E1I | | Name: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | | Formula: | C30 H28 Cl N9 O4 | | SMILES: | N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=C(c3cn(C)nc3)N(C)C(=O)c12 | | InChi: | InChI=1S/C30H28ClN9O4/c1-17-8-18(9-19(11-32)27(17)42)21-15-40(29-26(21)30(43)38(3)28(36-29)20-12-34-37(2)14-20)16-25(41)35-23-10-24(33-13-22(23)31)39-4-6-44-7-5-39/h8-10,12-15,42H,4-7,16H2,1-3H3,(H,33,35,41) | | Definition date: | 2021-12-01 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide |
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 | | AKQ | | Name: | (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide | | Formula: | C17 H18 Cl N5 O2 | | SMILES: | C[CH]1C[CH](Nc2ncc(Cl)cn2)c3cc(ccc3N1C(C)=O)C(N)=O | | InChi: | InChI=1S/C17H18ClN5O2/c1-9-5-14(22-17-20-7-12(18)8-21-17)13-6-11(16(19)25)3-4-15(13)23(9)10(2)24/h3-4,6-9,14H,5H2,1-2H3,(H2,19,25)(H,20,21,22)/t9-,14+/m0/s1 | | Synonyms: | (2S,4R)-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide | | Definition date: | 2021-11-30 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | (2~{S},4~{R})-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinoline-6-carboxamide |
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 | | RFO | | Name: | 1-(4-chloranylindol-1-yl)-2-methoxy-ethanone | | Formula: | C11 H10 Cl N O2 | | SMILES: | COCC(=O)n1ccc2c(Cl)cccc12 | | InChi: | InChI=1S/C11H10ClNO2/c1-15-7-11(14)13-6-5-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3 | | Definition date: | 2022-11-30 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | 1-(4-chloranylindol-1-yl)-2-methoxy-ethanone |
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 | | RIX | | Name: | methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate | | Formula: | C11 H8 Cl N O3 | | SMILES: | COC(=O)C(=O)n1ccc2c(Cl)cccc12 | | InChi: | InChI=1S/C11H8ClNO3/c1-16-11(15)10(14)13-6-5-7-8(12)3-2-4-9(7)13/h2-6H,1H3 | | Definition date: | 2022-11-30 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate |
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 | | OL0 | | Name: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione | | Formula: | C36 H38 N6 O5 | | SMILES: | CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n(C)ncc7c6)C1=O)c3c2 | | InChi: | InChI=1S/C36H38N6O5/c1-22-13-24(14-28-21-38-42(3)31(22)28)16-30-34(44)41(2)8-10-47-12-11-46-9-4-5-23-15-29-32(37-20-23)40-35(45)36(29)18-26-7-6-25(33(43)39-30)17-27(26)19-36/h4-7,13-15,17,20-21,30H,8-12,16,18-19H2,1-3H3,(H,39,43)(H,37,40,45)/b5-4+/t30-,36+/m1/s1 | | Definition date: | 2022-09-14 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione |
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 | | X3W | | Name: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide | | Formula: | C22 H27 N5 O4 | | SMILES: | CC(C)C1COC(=O)N1c1nc2c3ccc(cc3OCCn2c1)N1CCCC1C(N)=O | | InChi: | InChI=1S/C22H27N5O4/c1-13(2)17-12-31-22(29)27(17)19-11-25-8-9-30-18-10-14(5-6-15(18)21(25)24-19)26-7-3-4-16(26)20(23)28/h5-6,10-11,13,16-17H,3-4,7-9,12H2,1-2H3,(H2,23,28)/t16-,17-/m0/s1 | | Definition date: | 2022-10-26 | | Last modified: | 2022-11-25 | | Release date: | 2022-11-30 | | Identifier: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide |
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 | | A7X | | Name: | 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid | | Formula: | C17 H14 N2 O3 | | SMILES: | CN1C(=O)C(=Cc2ccc(cc2)C(O)=O)c3ccc(N)cc13 | | InChi: | InChI=1S/C17H14N2O3/c1-19-15-9-12(18)6-7-13(15)14(16(19)20)8-10-2-4-11(5-3-10)17(21)22/h2-9H,18H2,1H3,(H,21,22)/b14-8+ | | Synonyms: | (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid | | Definition date: | 2021-11-25 | | Last modified: | 2022-11-25 | | Release date: | 2022-11-30 | | Identifier: | 4-[(~{E})-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid |
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 | | AI0 | | Name: | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide | | Formula: | C17 H14 N2 O2 | | SMILES: | Oc1cccc2ccc(C=[N+]([O-])Cc3ccccc3)nc12 | | InChi: | InChI=1S/C17H14N2O2/c20-16-8-4-7-14-9-10-15(18-17(14)16)12-19(21)11-13-5-2-1-3-6-13/h1-10,12,20H,11H2/b19-12- | | Synonyms: | (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide | | Definition date: | 2021-11-26 | | Last modified: | 2022-11-25 | | Release date: | 2022-11-30 | | Identifier: | 1-(8-oxidanylquinolin-2-yl)-~{N}-(phenylmethyl)methanimine oxide |
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 | | AI6 | | Name: | N-tert-butyl-1-[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanimine oxide | | Formula: | C24 H32 N4 O2 | | SMILES: | CC(C)(C)[N+]([O-])=Cc1ccc2cccc(OCCCN3CCN(CC3)CC#C)c2n1 | | InChi: | InChI=1S/C24H32N4O2/c1-5-12-26-14-16-27(17-15-26)13-7-18-30-22-9-6-8-20-10-11-21(25-23(20)22)19-28(29)24(2,3)4/h1,6,8-11,19H,7,12-18H2,2-4H3/b28-19- | | Synonyms: | (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide | | Definition date: | 2021-11-26 | | Last modified: | 2022-11-25 | | Release date: | 2022-11-30 | | Identifier: | ~{N}-~{tert}-butyl-1-[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanimine oxide |
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