![F18 F18](https://data.pdbj.org/pdbjplus/data/cc/svg/F18.svg) | F18 | 表記: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL | 組成式: | C9 H10 N6 O | SMILES: | N(=Nc1c(nnc1N)N)c2ccc(O)cc2 | InChi: | InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12- | 別名: | CAN508 | 定義日: | 2006-05-02 | 最終更新日: | 2021-03-01 | 識別子(ID): | 4-[(Z)-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol |
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![F1H F1H](https://data.pdbj.org/pdbjplus/data/cc/svg/F1H.svg) | F1H | 表記: | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | 組成式: | C16 H24 N2 O S | SMILES: | O=C(NC2CCN(Cc1ccccc1)CC2)CCCS | InChi: | InChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19) | 別名: | N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide | 定義日: | 2008-03-10 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide |
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![F1K F1K](https://data.pdbj.org/pdbjplus/data/cc/svg/F1K.svg) | F1K | 表記: | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide | 組成式: | C15 H22 F N3 O S | SMILES: | Fc1ccc(cc1)CN2CC(NCC2)C(=O)NCCCS | InChi: | InChI=1S/C15H22FN3OS/c16-13-4-2-12(3-5-13)10-19-8-7-17-14(11-19)15(20)18-6-1-9-21/h2-5,14,17,21H,1,6-11H2,(H,18,20)/t14-/m0/s1 | 別名: | 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide | 定義日: | 2008-03-25 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide |
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![F20 F20](https://data.pdbj.org/pdbjplus/data/cc/svg/F20.svg) | F20 | 表記: | N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE | 組成式: | C28 H28 N4 O6 S | SMILES: | O=C4NS(=O)(=O)C(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)c2ccccc2)Cc3ccccc3)C4 | InChi: | InChI=1S/C28H28N4O6S/c29-26(34)22(15-19-11-13-20(14-12-19)24-17-25(33)32-39(24,37)38)30-28(36)23(16-18-7-3-1-4-8-18)31-27(35)21-9-5-2-6-10-21/h1-14,22-24H,15-17H2,(H2,29,34)(H,30,36)(H,31,35)(H,32,33)/t22-,23-,24-/m0/s1 | 別名: | ISOTHIAZOLIDINONE ANALOG | 定義日: | 2006-05-04 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-(phenylcarbonyl)-L-phenylalanyl-4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-L-phenylalaninamide |
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![F29 F29](https://data.pdbj.org/pdbjplus/data/cc/svg/F29.svg) | F29 | 表記: | 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | 組成式: | C21 H17 N7 | SMILES: | n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5CC=C)N | InChi: | InChI=1S/C21H17N7/c1-2-11-28-21-15(20(22)26-28)13-16(23-24-21)18-17-10-6-7-12-27(17)25-19(18)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H2,22,26) | 別名: | FR296110 | 定義日: | 2005-03-11 | 最終更新日: | 2021-03-01 | 識別子(ID): | 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-en-1-yl-1H-pyrazolo[3,4-c]pyridazin-3-amine |
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![F2N F2N](https://data.pdbj.org/pdbjplus/data/cc/svg/F2N.svg) | F2N | 表記: | [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE | 組成式: | C36 H43 N9 O16 P2 | SMILES: | O=C(N2c1cc(c(cc1N(C3=C2C(=O)NC(=O)N3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)CCc7ccccc7 | InChi: | InChI=1S/C36H43N9O16P2/c1-17-10-20-21(11-18(17)2)45(25(48)9-8-19-6-4-3-5-7-19)27-33(41-36(53)42-34(27)52)43(20)12-22(46)28(49)23(47)13-58-62(54,55)61-63(56,57)59-14-24-29(50)30(51)35(60-24)44-16-40-26-31(37)38-15-39-32(26)44/h3-7,10-11,15-16,22-24,28-30,35,46-47,49-51H,8-9,12-14H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,42,52,53)/t22-,23+,24+,28-,29+,30+,35+/m0/s1 | 別名: | 1-HYDRO-5-(3-PHENYLPROPANOYL)-FLAVIN-ADENINE DINUCLEOTIDE | 定義日: | 2007-06-07 | 最終更新日: | 2021-03-01 | 識別子(ID): | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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![F5M F5M](https://data.pdbj.org/pdbjplus/data/cc/svg/F5M.svg) | F5M | 表記: | 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid | 組成式: | C24 H13 N O7 | SMILES: | O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2C=CC(=O)C=3)cc(O)cc4)c(C(=O)O)c5 | InChi: | InChI=1S/C24H13NO7/c26-13-2-5-16-19(10-13)32-20-11-14(27)3-6-17(20)23(16)15-4-1-12(9-18(15)24(30)31)25-21(28)7-8-22(25)29/h1-11,26H,(H,30,31) | 別名: | fluorescein-5-maleimide | 定義日: | 2010-04-13 | 最終更新日: | 2021-03-01 | 識別子(ID): | 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid |
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![F5U F5U](https://data.pdbj.org/pdbjplus/data/cc/svg/F5U.svg) | F5U | 表記: | 2-(5-methoxy-1H-indol-3-yl)ethanamine | 組成式: | C11 H14 N2 O | SMILES: | COc1ccc2[nH]cc(CCN)c2c1 | InChi: | InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | 別名: | 5-Methoxytryptamine | 定義日: | 2020-04-01 | 最終更新日: | 2021-03-01 | 公開日: | 2020-08-26 | 識別子(ID): | 2-(5-methoxy-1~{H}-indol-3-yl)ethanamine |
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![F5X F5X](https://data.pdbj.org/pdbjplus/data/cc/svg/F5X.svg) | F5X | 表記: | 2-(6-methoxy-1H-indol-3-yl)ethanamine | 組成式: | C11 H14 N2 O | SMILES: | COc1ccc2c(CCN)c[nH]c2c1 | InChi: | InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3 | 別名: | 6-Methoxytryptamine | 定義日: | 2020-04-01 | 最終更新日: | 2021-03-01 | 公開日: | 2020-08-26 | 識別子(ID): | 2-(6-methoxy-1~{H}-indol-3-yl)ethanamine |
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![F77 F77](https://data.pdbj.org/pdbjplus/data/cc/svg/F77.svg) | F77 | 表記: | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID | 組成式: | C16 H16 F N O4 S | SMILES: | O=S(=O)(Nc1ccc(c(c1C(=O)O)C)CC)c2ccc(F)cc2 | InChi: | InChI=1S/C16H16FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h4-9,18H,3H2,1-2H3,(H,19,20) | 別名: | 3-ETHYL-6-(4-FLUORO-BENZENESULFONYLAMINO)-2-METHYL-BENZOIC ACID | 定義日: | 2007-02-06 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid |
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![F89 F89](https://data.pdbj.org/pdbjplus/data/cc/svg/F89.svg) | F89 | 表記: | S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID | 組成式: | C27 H24 N4 O6 | SMILES: | O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4cc3c(ccc2N=C(NC(=O)c23)C)cc4)C5)CCC(=O)O | InChi: | InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1 | 別名: | FOLATE ANALOG 1843U89 | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S)-2-(5-{[(3-methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid |
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![815 815](https://data.pdbj.org/pdbjplus/data/cc/svg/815.svg) | 815 | 表記: | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | 組成式: | C21 H19 N5 O3 S2 | SMILES: | O=C3N(Cc2cc1c(nccc1cc2)N)CCC3NS(=O)(=O)c5sc4cccnc4c5 | InChi: | InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1 | 別名: | RPR208815 | 定義日: | 2000-05-22 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide |
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![QB5 QB5](https://data.pdbj.org/pdbjplus/data/cc/svg/QB5.svg) | QB5 | 表記: | N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide | 組成式: | C21 H22 N4 O3 | SMILES: | CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3 | InChi: | InChI=1S/C21H22N4O3/c1-15(26)25-19-8-7-17(21(27)23-10-9-18-12-22-14-24-18)11-20(19)28-13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13H2,1H3,(H,22,24)(H,23,27)(H,25,26) | 別名: | 4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide | 定義日: | 2020-06-01 | 最終更新日: | 2021-03-01 | 公開日: | 2020-07-29 | 識別子(ID): | 4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide |
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![81Y 81Y](https://data.pdbj.org/pdbjplus/data/cc/svg/81Y.svg) | 81Y | 表記: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole | 組成式: | C19 H22 N4 O2 | SMILES: | CC(C)Oc1cc2c(cc1)nnc2c3ccnc(c3)N4CCOCC4 | InChi: | InChI=1S/C19H22N4O2/c1-13(2)25-15-3-4-17-16(12-15)19(22-21-17)14-5-6-20-18(11-14)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,22) | 別名: | MLi-2 | 定義日: | 2016-12-15 | 最終更新日: | 2021-03-01 | 公開日: | 2017-03-15 | 識別子(ID): | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole |
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![82R 82R](https://data.pdbj.org/pdbjplus/data/cc/svg/82R.svg) | 82R | 表記: | (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol | 組成式: | C27 H44 O4 | SMILES: | C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)[CH]5C[CH](O)[C]4(C)[CH]3[CH]2C | InChi: | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1 | 別名: | rockogenin | 定義日: | 2017-03-28 | 最終更新日: | 2021-03-01 | 公開日: | 2017-06-07 | 識別子(ID): | (1~{R},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},10~{R},12~{S},13~{S},16~{S},18~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol |
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![QDN QDN](https://data.pdbj.org/pdbjplus/data/cc/svg/QDN.svg) | QDN | 表記: | Quinidine | 組成式: | C20 H24 N2 O2 | SMILES: | O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C | InChi: | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 | 別名: | (9S)-6'-methoxycinchonan-9-ol | 定義日: | 2014-10-15 | 最終更新日: | 2021-03-01 | 公開日: | 2015-01-14 | 識別子(ID): | (9S)-6'-methoxycinchonan-9-ol |
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![QDO QDO](https://data.pdbj.org/pdbjplus/data/cc/svg/QDO.svg) | QDO | 表記: | 2,3-bis(bromomethyl)quinoxaline 1,4-dioxide | 組成式: | C10 H8 Br2 N2 O2 | SMILES: | [O-][n+]2c1ccccc1[n+]([O-])c(c2CBr)CBr | InChi: | InChI=1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2 | 別名: | conoidin A | 定義日: | 2013-05-31 | 最終更新日: | 2021-03-01 | 公開日: | 2013-07-31 | 識別子(ID): | 2,3-bis(bromomethyl)quinoxaline 1,4-dioxide |
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![843 843](https://data.pdbj.org/pdbjplus/data/cc/svg/843.svg) | 843 | 表記: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE | 組成式: | C30 H34 N3 O7 P | SMILES: | O=P(O)(O)Oc1ccc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | InChi: | InChI=1S/C30H34N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)/t27-,28-/m0/s1 | 別名: | RU81843 | 定義日: | 2003-06-20 | 最終更新日: | 2021-03-01 | 識別子(ID): | Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-O-phosphono-L-tyrosinamide |
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![QEI QEI](https://data.pdbj.org/pdbjplus/data/cc/svg/QEI.svg) | QEI | 表記: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | 組成式: | C12 H15 N5 O3 | SMILES: | O=C1c2c(cnc2N=C(N1)N)CNC3C=CC(O)C3O | InChi: | InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1 | 別名: | queuine | 定義日: | 2007-12-13 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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![852 852](https://data.pdbj.org/pdbjplus/data/cc/svg/852.svg) | 852 | 表記: | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID | 組成式: | C34 H35 N3 O9 | SMILES: | O=C(O)C(C(=O)O)c1c(C(=O)O)cc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | InChi: | InChI=1S/C34H35N3O9/c1-20(38)35-28(18-22-12-15-25(26(17-22)32(41)42)29(33(43)44)34(45)46)30(39)36-27-9-5-6-16-37(31(27)40)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,17,27-29H,5-6,9,16,18-19H2,1H3,(H,35,38)(H,36,39)(H,41,42)(H,43,44)(H,45,46)/t27-,28-/m0/s1 | 別名: | RU85052 | 定義日: | 2003-06-20 | 最終更新日: | 2021-03-01 | 識別子(ID): | {4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-carboxyphenyl}propanedioic acid |
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![85X 85X](https://data.pdbj.org/pdbjplus/data/cc/svg/85X.svg) | 85X | 表記: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole | 組成式: | C24 H18 N4 O | SMILES: | Cn1c2ccccc2c3c1c4n(CCC#N)c5ccccc5c4c6CNC(=O)c36 | InChi: | InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29) | 別名: | Go 6976 | 定義日: | 2017-04-21 | 最終更新日: | 2021-03-01 | 公開日: | 2017-10-11 |
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![881 881](https://data.pdbj.org/pdbjplus/data/cc/svg/881.svg) | 881 | 表記: | N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide | 組成式: | C38 H40 N8 O3 | SMILES: | n1ccccc1/C(=N/c7ccc(c5oc(c4c(OC2CCNCC2)cc(N=C(c3ncccc3)N)cc4)cc5)c(OC6CCNCC6)c7)N | InChi: | InChI=1S/C38H40N8O3/c39-37(31-5-1-3-17-43-31)45-25-7-9-29(35(23-25)47-27-13-19-41-20-14-27)33-11-12-34(49-33)30-10-8-26(46-38(40)32-6-2-4-18-44-32)24-36(30)48-28-15-21-42-22-16-28/h1-12,17-18,23-24,27-28,41-42H,13-16,19-22H2,(H2,39,45)(H2,40,46) | 別名: | DB1880 | 定義日: | 2010-08-24 | 最終更新日: | 2021-03-01 | 識別子(ID): | N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide |
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![QKM QKM](https://data.pdbj.org/pdbjplus/data/cc/svg/QKM.svg) | QKM | 表記: | 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile | 組成式: | C22 H17 F2 N5 O S | SMILES: | CC(C(c1c(ccc(c1)F)F)(Cn2ncnc2)O)c4nc(c3ccc(cc3)C#N)cs4 | InChi: | InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1 | 別名: | Isavuconazole | 定義日: | 2019-11-07 | 最終更新日: | 2021-03-01 | 公開日: | 2020-10-21 | 識別子(ID): | 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile |
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![8BD 8BD](https://data.pdbj.org/pdbjplus/data/cc/svg/8BD.svg) | 8BD | 表記: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid | 組成式: | C11 H13 N O4 | SMILES: | O=C(O)CCON=C/c1ccccc1OC | InChi: | InChI=1S/C11H13NO4/c1-15-10-5-3-2-4-9(10)8-12-16-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8- | 別名: | (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid | 定義日: | 2009-04-06 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid |
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![3M5 3M5](https://data.pdbj.org/pdbjplus/data/cc/svg/3M5.svg) | 3M5 | 表記: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide | 組成式: | C14 H23 N O4 | SMILES: | O=C1OCCC1NC(=O)CC(=O)CCCCCCC | InChi: | InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1 | 別名: | N-(3-Oxodecanoyl)-L-homoserine lactone | 定義日: | 2014-09-22 | 最終更新日: | 2021-03-01 | 公開日: | 2015-02-25 | 識別子(ID): | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide |
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