 | | BWF | | Name: | (2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid | | Formula: | C8 H11 N O5 | | SMILES: | OC(=O)C=C(O)[CH]1CCCN1C(O)=O | | InChi: | InChI=1S/C8H11NO5/c10-6(4-7(11)12)5-2-1-3-9(5)8(13)14/h4-5,10H,1-3H2,(H,11,12)(H,13,14)/b6-4-/t5-/m0/s1 | | Definition date: | 2019-03-20 | | Last modified: | 2021-01-05 | | Release date: | 2020-12-30 | | Identifier: | (2~{S})-2-[(~{Z})-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid |
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 | | BWL | | Name: | (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid | | Formula: | C28 H34 F3 N3 O4 | | SMILES: | CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)C=C(O)[CH]3CCCN3C(O)=O | | InChi: | InChI=1S/C28H34F3N3O4/c1-3-32(4-2)16-17-33(26(36)18-25(35)24-6-5-15-34(24)27(37)38)19-20-7-9-21(10-8-20)22-11-13-23(14-12-22)28(29,30)31/h7-14,18,24,35H,3-6,15-17,19H2,1-2H3,(H,37,38)/b25-18-/t24-/m0/s1 | | Definition date: | 2019-03-20 | | Last modified: | 2021-01-05 | | Release date: | 2020-12-30 | | Identifier: | (2~{S})-2-[(~{Z})-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid |
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 | | BWO | | Name: | (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid | | Formula: | C30 H35 F6 N3 O5 | | SMILES: | CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C(F)(F)F)C(=O)C=C(O)[CH]3CCCN3C(O)=O | | InChi: | InChI=1S/C30H35F6N3O5/c1-3-37(4-2)14-15-38(27(41)17-25(40)24-6-5-13-39(24)28(42)43)18-20-7-9-21(10-8-20)23-12-11-22(30(34,35)36)16-26(23)44-19-29(31,32)33/h7-12,16-17,24,40H,3-6,13-15,18-19H2,1-2H3,(H,42,43)/b25-17+/t24-/m0/s1 | | Definition date: | 2019-03-20 | | Last modified: | 2021-01-05 | | Release date: | 2020-12-30 | | Identifier: | (2~{S})-2-[(~{E})-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid |
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 | | VLS | | Name: | N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine | | Formula: | C6 H13 N O5 | | SMILES: | C(CNC(CO)(CO)CO)(O)=O | | InChi: | InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12) | | Definition date: | 2020-08-27 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine |
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 | | VXY | | Name: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate | | Formula: | C20 H25 F3 N8 O4 | | SMILES: | c1c(cnc(n1)N)c3c(c(nc(N2CCOCC2)n3)NC4(CCN(C(OCC(F)F)=O)C4)CO)F | | InChi: | InChI=1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1 | | Definition date: | 2020-09-21 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate |
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 | | VY1 | | Name: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide | | Formula: | C19 H27 N9 O3 S | | SMILES: | c1c(cnc(n1)N)c5c2c(N(CC2)C3CCN(C3)S(NC)(=O)=O)nc(N4CCOCC4)n5 | | InChi: | InChI=1S/C19H27N9O3S/c1-21-32(29,30)27-4-2-14(12-27)28-5-3-15-16(13-10-22-18(20)23-11-13)24-19(25-17(15)28)26-6-8-31-9-7-26/h10-11,14,21H,2-9,12H2,1H3,(H2,20,22,23)/t14-/m0/s1 | | Definition date: | 2020-09-21 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide |
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 | | VY4 | | Name: | tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | | Formula: | C24 H34 N8 O3 | | SMILES: | c1c(cnc(n1)N)c5c2c(N(CC2)C3(CCN(C(OC(C)(C)C)=O)C3)C)nc(N4CCOCC4)n5 | | InChi: | InChI=1S/C24H34N8O3/c1-23(2,3)35-22(33)31-8-6-24(4,15-31)32-7-5-17-18(16-13-26-20(25)27-14-16)28-21(29-19(17)32)30-9-11-34-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1 | | Definition date: | 2020-09-21 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate |
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 | | WZ6 | | Name: | 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid | | Formula: | C27 H31 F3 N2 O4 | | SMILES: | CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(O)=O)C(C)(C)CCC2(C)C | | InChi: | InChI=1S/C27H31F3N2O4/c1-6-35-11-12-36-22-15-18-17(25(2,3)9-10-26(18,4)5)14-21(22)32-20-8-7-16(23(33)34)13-19(20)31-24(32)27(28,29)30/h7-8,13-15H,6,9-12H2,1-5H3,(H,33,34) | | Definition date: | 2020-06-30 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid |
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 | | IF1 | | Name: | (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid | | Formula: | C17 H18 F5 N2 O7 P | | SMILES: | C(C2CC(N=[C@H]c1c(c(ncc1COP(=O)(O)O)C)O)C(C2)C(/C(F)(F)F)=C(/F)F)(O)=O | | InChi: | InChI=1S/C17H18F5N2O7P/c1-7-14(25)11(9(4-23-7)6-31-32(28,29)30)5-24-12-3-8(16(26)27)2-10(12)13(15(18)19)17(20,21)22/h4-5,8,10,12,25H,2-3,6H2,1H3,(H,26,27)(H2,28,29,30)/b24-5+/t8-,10+,12-/m0/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid |
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 | | EKL | | Name: | 6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide | | Formula: | C28 H30 N2 O4 S | | SMILES: | CCn1c2ccc(OC3CCC3)cc2c4cc(ccc14)C(=O)NCc5ccc(cc5)[S](=O)(=O)CC | | InChi: | InChI=1S/C28H30N2O4S/c1-3-30-26-14-10-20(28(31)29-18-19-8-12-23(13-9-19)35(32,33)4-2)16-24(26)25-17-22(11-15-27(25)30)34-21-6-5-7-21/h8-17,21H,3-7,18H2,1-2H3,(H,29,31) | | Definition date: | 2020-01-08 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide |
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 | | ENR | | Name: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide | | Formula: | C27 H30 N2 O4 S | | SMILES: | CCn1c2ccc(OC(C)C)cc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC | | InChi: | InChI=1S/C27H30N2O4S/c1-5-29-25-13-9-20(15-23(25)24-16-21(33-18(3)4)10-14-26(24)29)27(30)28-17-19-7-11-22(12-8-19)34(31,32)6-2/h7-16,18H,5-6,17H2,1-4H3,(H,28,30) | | Definition date: | 2020-01-17 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide |
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 | | ENU | | Name: | 6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide | | Formula: | C30 H34 N2 O4 S | | SMILES: | CCn1c2ccc(OC3CCCCC3)cc2c4cc(ccc14)C(=O)NCc5ccc(cc5)[S](=O)(=O)CC | | InChi: | InChI=1S/C30H34N2O4S/c1-3-32-28-16-12-22(30(33)31-20-21-10-14-25(15-11-21)37(34,35)4-2)18-26(28)27-19-24(13-17-29(27)32)36-23-8-6-5-7-9-23/h10-19,23H,3-9,20H2,1-2H3,(H,31,33) | | Definition date: | 2020-01-17 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide |
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 | | EO0 | | Name: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide | | Formula: | C24 H24 N2 O3 S | | SMILES: | CCn1c2ccccc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC | | InChi: | InChI=1S/C24H24N2O3S/c1-3-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)24(27)25-16-17-9-12-19(13-10-17)30(28,29)4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27) | | Definition date: | 2020-01-17 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide |
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 | | VLY | | Name: | 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | | Formula: | C20 H18 N4 O S | | SMILES: | C2(=O)N(c1ccccc1)C(=Nc3c2cnn3C)SC(C)c4ccccc4 | | InChi: | InChI=1S/C20H18N4OS/c1-14(15-9-5-3-6-10-15)26-20-22-18-17(13-21-23(18)2)19(25)24(20)16-11-7-4-8-12-16/h3-14H,1-2H3/t14-/m1/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | VM4 | | Name: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | | Formula: | C20 H18 N4 O2 S | | SMILES: | O=C2N(c1ccccc1)C(=Nc3c2cnn3C)SC(C)c4cc(ccc4)O | | InChi: | InChI=1S/C20H18N4O2S/c1-13(14-7-6-10-16(25)11-14)27-20-22-18-17(12-21-23(18)2)19(26)24(20)15-8-4-3-5-9-15/h3-13,25H,1-2H3/t13-/m1/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | VMA | | Name: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | | Formula: | C19 H17 N5 O S | | SMILES: | c12c(cnn1C)C(=O)N(C(=N2)SC(C)c3ccccn3)c4ccccc4 | | InChi: | InChI=1S/C19H17N5OS/c1-13(16-10-6-7-11-20-16)26-19-22-17-15(12-21-23(17)2)18(25)24(19)14-8-4-3-5-9-14/h3-13H,1-2H3/t13-/m1/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | VMG | | Name: | 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | | Formula: | C22 H22 N4 O2 S | | SMILES: | O=C2c1cnn(c1N=C(N2c3ccc(CCO)cc3)SC(C)c4ccccc4)C | | InChi: | InChI=1S/C22H22N4O2S/c1-15(17-6-4-3-5-7-17)29-22-24-20-19(14-23-25(20)2)21(28)26(22)18-10-8-16(9-11-18)12-13-27/h3-11,14-15,27H,12-13H2,1-2H3/t15-/m1/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 5-[4-(2-hydroxyethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | VMJ | | Name: | 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | | Formula: | C21 H20 N4 O2 S | | SMILES: | O=C2N(c1ccc(cc1)CO)C(=Nc3c2cnn3C)SC(C)c4ccccc4 | | InChi: | InChI=1S/C21H20N4O2S/c1-14(16-6-4-3-5-7-16)28-21-23-19-18(12-22-24(19)2)20(27)25(21)17-10-8-15(13-26)9-11-17/h3-12,14,26H,13H2,1-2H3/t14-/m1/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | WB4 | | Name: | N-{(1S)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide | | Formula: | C30 H29 N5 O2 S2 | | SMILES: | C(NC(=O)c1cncs1)(CCCCNC(=O)c2c(cccc2)SC)c3nc(cn3)c4cc5ccccc5cc4 | | InChi: | InChI=1S/C30H29N5O2S2/c1-38-26-12-5-4-10-23(26)29(36)32-15-7-6-11-24(35-30(37)27-18-31-19-39-27)28-33-17-25(34-28)22-14-13-20-8-2-3-9-21(20)16-22/h2-5,8-10,12-14,16-19,24H,6-7,11,15H2,1H3,(H,32,36)(H,33,34)(H,35,37)/t24-/m0/s1 | | Definition date: | 2020-10-06 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | N-{(1S)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide |
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 | | WBA | | Name: | N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide | | Formula: | C29 H26 F N5 O3 S | | SMILES: | c5ccc(c(C(NCCCCC(c1nc(cn1)c3ccc2ccccc2c3)NC(c4cncs4)=O)=O)c5O)F | | InChi: | InChI=1S/C29H26FN5O3S/c30-21-8-5-10-24(36)26(21)29(38)32-13-4-3-9-22(35-28(37)25-16-31-17-39-25)27-33-15-23(34-27)20-12-11-18-6-1-2-7-19(18)14-20/h1-2,5-8,10-12,14-17,22,36H,3-4,9,13H2,(H,32,38)(H,33,34)(H,35,37)/t22-/m0/s1 | | Definition date: | 2020-10-07 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide |
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 | | XM7 | | Name: | 5'-O-[(R)-hydroxy(methoxy)phosphoryl]adenosine | | Formula: | C11 H16 N5 O7 P | | SMILES: | c1nc3c(c(n1)N)ncn3C2C(C(C(O2)COP(OC)(O)=O)O)O | | InChi: | InChI=1S/C11H16N5O7P/c1-21-24(19,20)22-2-5-7(17)8(18)11(23-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | | Definition date: | 2020-12-18 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 5'-O-[(R)-hydroxy(methoxy)phosphoryl]adenosine |
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 | | XNJ | | Name: | N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide | | Formula: | C27 H28 N6 O S | | SMILES: | C1N(CCNC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(c3)Nc4scc(n4)c5cccnc5 | | InChi: | InChI=1S/C27H28N6OS/c1-19-4-9-23(15-24(19)31-27-32-25(18-35-27)22-3-2-10-29-16-22)30-26(34)21-7-5-20(6-8-21)17-33-13-11-28-12-14-33/h2-10,15-16,18,28H,11-14,17H2,1H3,(H,30,34)(H,31,32) | | Synonyms: | demethylated masitinib | | Definition date: | 2020-12-22 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide |
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 | | FL0 | | Name: | 2-bromanyl-1-phenyl-ethanone | | Formula: | C8 H7 Br O | | SMILES: | BrCC(=O)c1ccccc1 | | InChi: | InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2 | | Definition date: | 2020-06-01 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 2-bromanyl-1-phenyl-ethanone |
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 | | FWO | | Name: | (2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid | | Formula: | C10 H18 N2 O5 | | SMILES: | CC(C)C[CH](NC(=O)C[CH](N)C(O)=O)C(O)=O | | InChi: | InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1 | | Definition date: | 2020-06-25 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | (2~{S})-2-[[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid |
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 | | F4F | | Name: | (5aS,6R,9S,9aS)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid | | Formula: | C15 H22 O5 | | SMILES: | CC(C)[CH]1CC[C](C)(O)[CH]2[CH]1C=C(COC2=O)C(O)=O | | InChi: | InChI=1S/C15H22O5/c1-8(2)10-4-5-15(3,19)12-11(10)6-9(13(16)17)7-20-14(12)18/h6,8,10-12,19H,4-5,7H2,1-3H3,(H,16,17)/t10-,11-,12-,15+/m1/s1 | | Definition date: | 2020-03-23 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | (5~{a}~{S},6~{R},9~{S},9~{a}~{S})-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5~{a},6,7,8,9~{a}-hexahydro-2-benzoxepine-4-carboxylic acid |
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