![IJM IJM](https://data.pdbj.org/pdbjplus/data/cc/svg/IJM.svg) | IJM | 表記: | (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid | 組成式: | C14 H8 F3 N5 O4 | SMILES: | O=C(O)C=1NC(=CC(=O)C=1O)c1ccc(cc1C(F)(F)F)c1nnn[NH]1 | InChi: | InChI=1S/C14H8F3N5O4/c15-14(16,17)7-3-5(12-19-21-22-20-12)1-2-6(7)8-4-9(23)11(24)10(18-8)13(25)26/h1-4,24H,(H,18,23)(H,25,26)(H,19,20,21,22) | 定義日: | 2023-08-01 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid |
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![9R4 9R4](https://data.pdbj.org/pdbjplus/data/cc/svg/9R4.svg) | 9R4 | 表記: | D-gamma-glutamyl-2-methyl-L-alanine | 組成式: | C9 H16 N2 O5 | SMILES: | NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O | InChi: | InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1 | 定義日: | 2017-06-01 | 最終更新日: | 2024-04-30 | 公開日: | 2017-11-15 | 識別子(ID): | D-gamma-glutamyl-2-methyl-L-alanine |
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![R5P R5P](https://data.pdbj.org/pdbjplus/data/cc/svg/R5P.svg) | R5P | 表記: | RIBOSE-5-PHOSPHATE | 組成式: | C5 H11 O8 P | SMILES: | O=P(OCC(O)C(O)C(O)C=O)(O)O | InChi: | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1 | 定義日: | 2001-06-19 | 最終更新日: | 2024-04-30 | 識別子(ID): | 5-O-phosphono-D-ribose |
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![1CC 1CC](https://data.pdbj.org/pdbjplus/data/cc/svg/1CC.svg) | 1CC | 表記: | 5-carboxy-2'-deoxycytidine monophosphate | 組成式: | C10 H14 N3 O9 P | SMILES: | O=C(O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N | InChi: | InChI=1S/C10H14N3O9P/c11-8-4(9(15)16)2-13(10(17)12-8)7-1-5(14)6(22-7)3-21-23(18,19)20/h2,5-7,14H,1,3H2,(H,15,16)(H2,11,12,17)(H2,18,19,20)/t5-,6+,7+/m0/s1 | 定義日: | 2011-11-17 | 最終更新日: | 2024-04-29 | 識別子(ID): | 5-carboxy-2'-deoxycytidine 5'-(dihydrogen phosphate) |
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![U5U U5U](https://data.pdbj.org/pdbjplus/data/cc/svg/U5U.svg) | U5U | 表記: | ~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine | 組成式: | C15 H15 N4 Pd S | SMILES: | CN(C)C(=NN=C(c1ccccc1)c2ccccn2)S[Pd] | InChi: | InChI=1S/C15H16N4S.Pd/c1-19(2)15(20)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13 | 定義日: | 2023-05-17 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | ~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine |
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![WRU WRU](https://data.pdbj.org/pdbjplus/data/cc/svg/WRU.svg) | WRU | 表記: | Mianserin | 組成式: | C18 H20 N2 | SMILES: | CN1CC2N(CC1)c1ccccc1Cc1ccccc21 | InChi: | InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | 定義日: | 2023-10-10 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | (5S,14bS)-2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine |
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![Y6E Y6E](https://data.pdbj.org/pdbjplus/data/cc/svg/Y6E.svg) | Y6E | 表記: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile | 組成式: | C25 H23 F N4 O3 S | SMILES: | O=S(C)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1c1ccc(cc1)C1(C#N)CC1 | InChi: | InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3 | 定義日: | 2023-06-12 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile |
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![WUX WUX](https://data.pdbj.org/pdbjplus/data/cc/svg/WUX.svg) | WUX | 表記: | 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid | 組成式: | C33 H54 O6 | SMILES: | C[CH]1[CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2[CH](O)C[CH]4[CH]([CH](C[C]34C)OC(C)=O)[CH](CCCC5CCCC5)C(O)=O | InChi: | InChI=1S/C33H54O6/c1-19-23-13-16-32(4)29(31(23,3)15-14-25(19)35)26(36)17-24-28(27(39-20(2)34)18-33(24,32)5)22(30(37)38)12-8-11-21-9-6-7-10-21/h19,21-29,35-36H,6-18H2,1-5H3,(H,37,38)/t19-,22-,23-,24-,25+,26+,27-,28-,29-,31-,32-,33-/m0/s1 | 定義日: | 2023-05-22 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid |
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![XSL XSL](https://data.pdbj.org/pdbjplus/data/cc/svg/XSL.svg) | XSL | 表記: | [2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid | 組成式: | C16 H15 F3 N O5 P | SMILES: | O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2F | InChi: | InChI=1S/C16H15F3NO5P/c17-12-6-2-1-5-11(12)16(18,19)10-20-15(21)9-25-13-7-3-4-8-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24) | 定義日: | 2023-01-30 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | [2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
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![UAC UAC](https://data.pdbj.org/pdbjplus/data/cc/svg/UAC.svg) | UAC | 表記: | (2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide | 組成式: | C45 H65 Cl N8 O6 | SMILES: | C[CH](N(C)C(=O)[CH](C)N(Cc1c[nH]c2cc(Cl)ccc12)C(=O)[CH](C)N(C)C(=O)[CH](C)N(Cc3ccccc3)C(C)=O)C(=O)N(CCC(C)(C)C)[CH](C)C(=O)N4CCNCC4 | InChi: | InChI=1S/C45H65ClN8O6/c1-29(43(59)52(22-19-45(7,8)9)33(5)42(58)51-23-20-47-21-24-51)49(10)41(57)32(4)54(28-36-26-48-39-25-37(46)17-18-38(36)39)44(60)30(2)50(11)40(56)31(3)53(34(6)55)27-35-15-13-12-14-16-35/h12-18,25-26,29-33,47-48H,19-24,27-28H2,1-11H3/t29-,30-,31-,32-,33-/m0/s1 | 定義日: | 2023-05-25 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | (2~{S})-2-[[(2~{S})-2-[(6-chloranyl-1~{H}-indol-3-yl)methyl-[(2~{S})-2-[[(2~{S})-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-~{N}-(3,3-dimethylbutyl)-~{N}-[(2~{S})-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide |
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![VZW VZW](https://data.pdbj.org/pdbjplus/data/cc/svg/VZW.svg) | VZW | 表記: | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid | 組成式: | C24 H23 F N4 O6 S | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5 | InChi: | InChI=1S/C24H23FN4O6S/c25-19-11-17-20(29(15-3-4-15)13-18(22(17)30)24(32)33)12-21(19)27-7-9-28(10-8-27)23(31)14-1-5-16(6-2-14)36(26,34)35/h1-2,5-6,11-13,15H,3-4,7-10H2,(H,32,33)(H2,26,34,35) | 定義日: | 2023-04-21 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid |
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![ZXJ ZXJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ZXJ.svg) | ZXJ | 表記: | (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid | 組成式: | C15 H14 O2 S | SMILES: | O=C(O)c1cc2CC(C)(C)c3ccccc3c2s1 | InChi: | InChI=1S/C15H14O2S/c1-15(2)8-9-7-12(14(16)17)18-13(9)10-5-3-4-6-11(10)15/h3-7H,8H2,1-2H3,(H,16,17) | 定義日: | 2023-07-07 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid |
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![W0O W0O](https://data.pdbj.org/pdbjplus/data/cc/svg/W0O.svg) | W0O | 表記: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine | 組成式: | C23 H24 N6 O | SMILES: | CN1CCC(CC1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25 | InChi: | InChI=1S/C23H24N6O/c1-28-13-11-17(12-14-28)29-23-20(22(24)25-15-26-23)21(27-29)16-7-9-19(10-8-16)30-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H2,24,25,26) | 定義日: | 2023-04-21 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine |
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![VLX VLX](https://data.pdbj.org/pdbjplus/data/cc/svg/VLX.svg) | VLX | 表記: | (2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide | 組成式: | C11 H20 N2 O2 | SMILES: | CCC[CH]1CN([CH](CC)C(N)=O)C(=O)C1 | InChi: | InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1 | 定義日: | 2023-07-28 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | (2~{S})-2-[(4~{R})-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide |
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![W1O W1O](https://data.pdbj.org/pdbjplus/data/cc/svg/W1O.svg) | W1O | 表記: | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid | 組成式: | C25 H26 F N5 O6 S | SMILES: | N[S](=O)(=O)c1ccc(CNC(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5)cc1 | InChi: | InChI=1S/C25H26FN5O6S/c26-20-11-18-21(31(16-3-4-16)14-19(23(18)32)24(33)34)12-22(20)29-7-9-30(10-8-29)25(35)28-13-15-1-5-17(6-2-15)38(27,36)37/h1-2,5-6,11-12,14,16H,3-4,7-10,13H2,(H,28,35)(H,33,34)(H2,27,36,37) | 定義日: | 2023-04-24 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid |
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![X1L X1L](https://data.pdbj.org/pdbjplus/data/cc/svg/X1L.svg) | X1L | 表記: | N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | 組成式: | C20 H23 F2 N3 O4 S | SMILES: | FC(C)(F)c1nc(Oc2ccccc2)c(cn1)C(=O)NC(CCS(C)(=O)=O)C1CC1 | InChi: | InChI=1S/C20H23F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,12-13,16H,8-11H2,1-2H3,(H,24,26) | 定義日: | 2023-10-19 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide |
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![W2W W2W](https://data.pdbj.org/pdbjplus/data/cc/svg/W2W.svg) | W2W | 表記: | 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one | 組成式: | C26 H28 F N7 O3 S | SMILES: | CN1CCN(CC1)[S](=O)(=O)c2ccc(NC3=C(C)C(=O)N4C=C(C=CC4=N3)c5cnn(c5)C6CC6)c(F)c2 | InChi: | InChI=1S/C26H28FN7O3S/c1-17-25(29-23-7-6-21(13-22(23)27)38(36,37)32-11-9-31(2)10-12-32)30-24-8-3-18(15-33(24)26(17)35)19-14-28-34(16-19)20-4-5-20/h3,6-8,13-16,20,29H,4-5,9-12H2,1-2H3 | 定義日: | 2023-04-26 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one |
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![U0U U0U](https://data.pdbj.org/pdbjplus/data/cc/svg/U0U.svg) | U0U | 表記: | [2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid | 組成式: | C16 H16 F2 N O5 P | SMILES: | O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2 | InChi: | InChI=1S/C16H16F2NO5P/c17-16(18,12-6-2-1-3-7-12)11-19-15(20)10-24-13-8-4-5-9-14(13)25(21,22)23/h1-9H,10-11H2,(H,19,20)(H2,21,22,23) | 定義日: | 2023-01-18 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | [2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
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![UTI UTI](https://data.pdbj.org/pdbjplus/data/cc/svg/UTI.svg) | UTI | 表記: | (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol | 組成式: | C30 H33 Br F N3 O5 | SMILES: | COc1cc(cc(OC)n1)[C](O)(CCN(C)C)[CH](c2cccc(OC)c2F)c3cc4cc(Br)ccc4nc3OC | InChi: | InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1 | 別名: | TBAJ-587 | 定義日: | 2023-06-21 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol |
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![Y0B Y0B](https://data.pdbj.org/pdbjplus/data/cc/svg/Y0B.svg) | Y0B | 表記: | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol | 組成式: | C18 H21 N3 O2 | SMILES: | COc1cccc(CNc2nc3ccccc3n2CCC)c1O | InChi: | InChI=1S/C18H21N3O2/c1-3-11-21-15-9-5-4-8-14(15)20-18(21)19-12-13-7-6-10-16(23-2)17(13)22/h4-10,22H,3,11-12H2,1-2H3,(H,19,20) | 定義日: | 2023-06-09 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol |
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![UH9 UH9](https://data.pdbj.org/pdbjplus/data/cc/svg/UH9.svg) | UH9 | 表記: | [2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid | 組成式: | C16 H15 F3 N O5 P | SMILES: | O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2cccc(F)c2 | InChi: | InChI=1S/C16H15F3NO5P/c17-12-5-3-4-11(8-12)16(18,19)10-20-15(21)9-25-13-6-1-2-7-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24) | 定義日: | 2023-02-03 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | [2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
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![W53 W53](https://data.pdbj.org/pdbjplus/data/cc/svg/W53.svg) | W53 | 表記: | 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide | 組成式: | C23 H26 N8 O | SMILES: | NCCCNC(=O)C(Cc1ccc2ccc(N)nc2n1)Cc3ccc4ccc(N)nc4n3 | InChi: | InChI=1S/C23H26N8O/c24-10-1-11-27-23(32)16(12-17-6-2-14-4-8-19(25)30-21(14)28-17)13-18-7-3-15-5-9-20(26)31-22(15)29-18/h2-9,16H,1,10-13,24H2,(H,27,32)(H2,25,28,30)(H2,26,29,31) | 定義日: | 2023-09-25 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide |
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![WOQ WOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/WOQ.svg) | WOQ | 表記: | Setiptiline | 組成式: | C19 H19 N | SMILES: | CN1CC2=C(CC1)c1ccccc1Cc1ccccc21 | InChi: | InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3 | 別名: | [4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine | 定義日: | 2023-10-09 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | [4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine |
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![9M5 9M5](https://data.pdbj.org/pdbjplus/data/cc/svg/9M5.svg) | 9M5 | 表記: | ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-1~{H}-imidazole-4-carboxamide | 組成式: | C27 H33 N5 O2 | SMILES: | CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)c4c[nH]cn4 | InChi: | InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)/t24-/m0/s1 | 定義日: | 2021-11-19 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-1~{H}-imidazole-4-carboxamide |
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![7TN 7TN](https://data.pdbj.org/pdbjplus/data/cc/svg/7TN.svg) | 7TN | 表記: | Iguratimod | 組成式: | C17 H14 N2 O6 S | SMILES: | CS(=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc1ccccc1 | InChi: | InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20) | 別名: | T 614 | 定義日: | 2021-08-20 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | N-{7-[(methanesulfonyl)amino]-4-oxo-6-phenoxy-4H-1-benzopyran-3-yl}formamide |
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