![B6T B6T](https://data.pdbj.org/pdbjplus/data/cc/svg/B6T.svg) | B6T | 表記: | 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile | 組成式: | C16 H14 N4 O | SMILES: | CC(C)c1c(O)c2ncc(C#N)n2nc1c3ccccc3 | InChi: | InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-20-12(8-17)9-18-16(20)15(13)21/h3-7,9-10,21H,1-2H3 | 定義日: | 2017-09-19 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile |
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![B6W B6W](https://data.pdbj.org/pdbjplus/data/cc/svg/B6W.svg) | B6W | 表記: | 2-chloranyl-~{N}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide | 組成式: | C17 H18 Cl N7 O2 | SMILES: | CC(C)C1=C(Nc2n(ncc2C#N)C1=O)c3cnn(CCNC(=O)CCl)c3 | InChi: | InChI=1S/C17H18ClN7O2/c1-10(2)14-15(23-16-11(6-19)7-22-25(16)17(14)27)12-8-21-24(9-12)4-3-20-13(26)5-18/h7-10,23H,3-5H2,1-2H3,(H,20,26) | 定義日: | 2017-09-20 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | 2-chloranyl-~{N}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide |
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![B7K B7K](https://data.pdbj.org/pdbjplus/data/cc/svg/B7K.svg) | B7K | 表記: | 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | 組成式: | C21 H23 N7 O2 | SMILES: | CC(C)[CH]1C(=O)n2ncc(C#N)c2N=C1c3cnn(c3)C4CCN(CC4)C(=O)C=C | InChi: | InChI=1S/C21H23N7O2/c1-4-17(29)26-7-5-16(6-8-26)27-12-15(11-23-27)19-18(13(2)3)21(30)28-20(25-19)14(9-22)10-24-28/h4,10-13,16,18H,1,5-8H2,2-3H3/t18-/m0/s1 | 定義日: | 2017-09-20 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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![B7Q B7Q](https://data.pdbj.org/pdbjplus/data/cc/svg/B7Q.svg) | B7Q | 表記: | 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | 組成式: | C20 H22 Cl N7 O2 | SMILES: | CC(C)C1=C(Nc2n(ncc2C#N)C1=O)c3cnn(c3)C4CCN(CC4)C(=O)CCl | InChi: | InChI=1S/C20H22ClN7O2/c1-12(2)17-18(25-19-13(8-22)9-24-28(19)20(17)30)14-10-23-27(11-14)15-3-5-26(6-4-15)16(29)7-21/h9-12,15,25H,3-7H2,1-2H3 | 定義日: | 2017-09-20 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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![BFW BFW](https://data.pdbj.org/pdbjplus/data/cc/svg/BFW.svg) | BFW | 表記: | 4-N-Furfurylcytosine | 組成式: | C9 H9 N3 O2 | SMILES: | O=C1NC(=CC=N1)NCc2occc2 | InChi: | InChI=1S/C9H9N3O2/c13-9-10-4-3-8(12-9)11-6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,12,13) | 定義日: | 2017-10-01 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | 6-(furan-2-ylmethylamino)-1~{H}-pyrimidin-2-one |
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![BNW BNW](https://data.pdbj.org/pdbjplus/data/cc/svg/BNW.svg) | BNW | 表記: | UDP-N-acetyl-muramic acid-4'phosphate | 組成式: | C20 H32 N3 O22 P3 | SMILES: | C[CH](O[CH]1[CH](NC(C)=O)[CH](O[CH](CO)[CH]1O[P](O)(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)C(O)=O | InChi: | InChI=1S/C20H32N3O22P3/c1-7(18(29)30)40-16-12(21-8(2)25)19(42-9(5-24)15(16)43-46(32,33)34)44-48(37,38)45-47(35,36)39-6-10-13(27)14(28)17(41-10)23-4-3-11(26)22-20(23)31/h3-4,7,9-10,12-17,19,24,27-28H,5-6H2,1-2H3,(H,21,25)(H,29,30)(H,35,36)(H,37,38)(H,22,26,31)(H2,32,33,34)/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1 | 定義日: | 2017-10-11 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | (2~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-phosphonooxy-oxan-4-yl]oxypropanoic acid |
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![BY8 BY8](https://data.pdbj.org/pdbjplus/data/cc/svg/BY8.svg) | BY8 | 表記: | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid | 組成式: | C23 H21 N O3 S | SMILES: | Cc1ccc(CC2=CC(=O)N3[CH](CSC3=C2C4CC4)C(O)=O)c5ccccc15 | InChi: | InChI=1S/C23H21NO3S/c1-13-6-7-15(18-5-3-2-4-17(13)18)10-16-11-20(25)24-19(23(26)27)12-28-22(24)21(16)14-8-9-14/h2-7,11,14,19H,8-10,12H2,1H3,(H,26,27)/t19-/m0/s1 | 定義日: | 2017-10-31 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid |
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![BYK BYK](https://data.pdbj.org/pdbjplus/data/cc/svg/BYK.svg) | BYK | 表記: | [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium | 組成式: | C21 H21 N2 O3 S | SMILES: | C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O | InChi: | InChI=1S/C21H20N2O3S/c1-22(2)19-15(10-14-8-5-7-13-6-3-4-9-16(13)14)11-18(24)23-17(21(25)26)12-27-20(19)23/h3-9,11,17H,10,12H2,1-2H3,(H,25,26)/p+1/t17-/m0/s1 | 定義日: | 2017-11-01 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium |
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![C2Q C2Q](https://data.pdbj.org/pdbjplus/data/cc/svg/C2Q.svg) | C2Q | 表記: | [(3~{R})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium | 組成式: | C22 H23 N2 O3 S | SMILES: | C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3ccc(C)c4ccccc34)C(O)=O | InChi: | InChI=1S/C22H22N2O3S/c1-13-8-9-14(17-7-5-4-6-16(13)17)10-15-11-19(25)24-18(22(26)27)12-28-21(24)20(15)23(2)3/h4-9,11,18H,10,12H2,1-3H3,(H,26,27)/p+1/t18-/m0/s1 | 定義日: | 2017-11-08 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | [(3~{R})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium |
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![C8N C8N](https://data.pdbj.org/pdbjplus/data/cc/svg/C8N.svg) | C8N | 表記: | [(3~{S})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium | 組成式: | C21 H21 N2 O3 S | SMILES: | C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O | InChi: | InChI=1S/C21H20N2O3S/c1-22(2)19-15(10-14-8-5-7-13-6-3-4-9-16(13)14)11-18(24)23-17(21(25)26)12-27-20(19)23/h3-9,11,17H,10,12H2,1-2H3,(H,25,26)/p+1/t17-/m1/s1 | 定義日: | 2017-11-20 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | [(3~{S})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium |
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![C8Q C8Q](https://data.pdbj.org/pdbjplus/data/cc/svg/C8Q.svg) | C8Q | 表記: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid | 組成式: | C20 H17 N O4 S | SMILES: | COC1=C2SC[CH](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O | InChi: | InChI=1S/C20H17NO4S/c1-25-18-14(9-13-7-4-6-12-5-2-3-8-15(12)13)10-17(22)21-16(20(23)24)11-26-19(18)21/h2-8,10,16H,9,11H2,1H3,(H,23,24)/t16-/m0/s1 | 定義日: | 2017-11-20 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid |
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![8W9 8W9](https://data.pdbj.org/pdbjplus/data/cc/svg/8W9.svg) | 8W9 | 表記: | 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one | 組成式: | C10 H13 N3 O | SMILES: | CN1C(=O)N(C)c2cc(CN)ccc12 | InChi: | InChI=1S/C10H13N3O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6,11H2,1-2H3 | 定義日: | 2017-10-13 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one |
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![CVE CVE](https://data.pdbj.org/pdbjplus/data/cc/svg/CVE.svg) | CVE | 表記: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid | 組成式: | C27 H27 N7 O7 | SMILES: | C[CH](N1C(=O)N(C)C=C(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)C1=O)C(=O)N[CH](CO)CC(O)=O | InChi: | InChI=1S/C27H27N7O7/c1-15(24(38)30-18(14-35)11-23(36)37)34-26(40)21(13-33(2)27(34)41)32-25(39)16-7-9-17(10-8-16)29-22-12-28-19-5-3-4-6-20(19)31-22/h3-10,12-13,15,18,35H,11,14H2,1-2H3,(H,29,31)(H,30,38)(H,32,39)(H,36,37)/t15-,18+/m1/s1 | 定義日: | 2017-12-07 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid |
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![9C2 9C2](https://data.pdbj.org/pdbjplus/data/cc/svg/9C2.svg) | 9C2 | 表記: | [(2~{R},3~{R},4~{S})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate | 組成式: | C5 H13 N2 O8 P | SMILES: | NNC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O | InChi: | InChI=1S/C5H13N2O8P/c6-7-5(11)4(10)3(9)2(8)1-15-16(12,13)14/h2-4,8-10H,1,6H2,(H,7,11)(H2,12,13,14)/t2-,3-,4+/m1/s1 | 定義日: | 2017-05-05 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | [(2~{R},3~{R},4~{S})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate |
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![9C5 9C5](https://data.pdbj.org/pdbjplus/data/cc/svg/9C5.svg) | 9C5 | 表記: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one | 組成式: | C17 H17 N3 O2 | SMILES: | CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 | InChi: | InChI=1S/C17H17N3O2/c1-20(10-11-21)13-8-6-12(7-9-13)16-18-15-5-3-2-4-14(15)17(22)19-16/h2-9,21H,10-11H2,1H3,(H,18,19,22) | 定義日: | 2017-05-05 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one |
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![9CE 9CE](https://data.pdbj.org/pdbjplus/data/cc/svg/9CE.svg) | 9CE | 表記: | 2-(2-aminophenyl)-3~{H}-quinazolin-4-one | 組成式: | C14 H11 N3 O | SMILES: | Nc1ccccc1C2=Nc3ccccc3C(=O)N2 | InChi: | InChI=1S/C14H11N3O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8H,15H2,(H,16,17,18) | 定義日: | 2017-05-05 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | 2-(2-aminophenyl)-3~{H}-quinazolin-4-one |
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![6XQ 6XQ](https://data.pdbj.org/pdbjplus/data/cc/svg/6XQ.svg) | 6XQ | 表記: | (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid | 組成式: | C38 H45 N3 O5 | SMILES: | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N3CCC(CC3)c4oc5cc(ccc5c4)[CH](CC(O)=O)C6CC6 | InChi: | InChI=1S/C38H45N3O5/c1-24-7-6-8-35(39-24)41(23-38(2,3)4)37(44)30-14-13-29(45-5)21-32(30)40-17-15-26(16-18-40)33-20-28-12-11-27(19-34(28)46-33)31(22-36(42)43)25-9-10-25/h6-8,11-14,19-21,25-26,31H,9-10,15-18,22-23H2,1-5H3,(H,42,43)/t31-/m0/s1 | 定義日: | 2016-07-18 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid |
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![8F0 8F0](https://data.pdbj.org/pdbjplus/data/cc/svg/8F0.svg) | 8F0 | 表記: | (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one | 組成式: | C22 H27 N3 O | SMILES: | C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccc(C)cc4 | InChi: | InChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16-/m0/s1 | 定義日: | 2017-06-23 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one |
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![8F6 8F6](https://data.pdbj.org/pdbjplus/data/cc/svg/8F6.svg) | 8F6 | 表記: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one | 組成式: | C21 H25 N3 O | SMILES: | C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccccc4 | InChi: | InChI=1S/C21H25N3O/c1-14(16-7-5-4-6-8-16)22-17-9-12-19-20(13-17)24(18-10-11-18)15(2)21(25)23(19)3/h4-9,12-15,18,22H,10-11H2,1-3H3/t14-,15-/m1/s1 | 定義日: | 2017-06-23 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one |
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![8F9 8F9](https://data.pdbj.org/pdbjplus/data/cc/svg/8F9.svg) | 8F9 | 表記: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one | 組成式: | C22 H27 N3 O | SMILES: | C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccc(C)cc4 | InChi: | InChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16+/m0/s1 | 定義日: | 2017-06-23 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one |
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![8FC 8FC](https://data.pdbj.org/pdbjplus/data/cc/svg/8FC.svg) | 8FC | 表記: | ~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide | 組成式: | C21 H25 N3 O3 S | SMILES: | CN1C(=O)C(C)(C)N(C2CC2)c3cc(N[S](=O)(=O)c4ccc(C)cc4)ccc13 | InChi: | InChI=1S/C21H25N3O3S/c1-14-5-10-17(11-6-14)28(26,27)22-15-7-12-18-19(13-15)24(16-8-9-16)21(2,3)20(25)23(18)4/h5-7,10-13,16,22H,8-9H2,1-4H3 | 定義日: | 2017-06-23 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | ~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide |
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![DZ0 DZ0](https://data.pdbj.org/pdbjplus/data/cc/svg/DZ0.svg) | DZ0 | 表記: | (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one | 組成式: | C23 H25 N O2 | SMILES: | COc1ccc2c(CC(=CC3CCN(CC3)Cc4ccccc4)C2=O)c1 | InChi: | InChI=1S/C23H25NO2/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14,16H2,1H3/b20-13+ | 定義日: | 2017-02-28 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one |
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![DZ7 DZ7](https://data.pdbj.org/pdbjplus/data/cc/svg/DZ7.svg) | DZ7 | 表記: | (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one | 組成式: | C24 H27 N O3 | SMILES: | COc1cc2CC(=CC3CCN(CC3)Cc4ccccc4)C(=O)c2cc1OC | InChi: | InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+ | 定義日: | 2017-02-28 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one |
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![E1M E1M](https://data.pdbj.org/pdbjplus/data/cc/svg/E1M.svg) | E1M | 表記: | (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid | 組成式: | C23 H20 Cl2 N2 O3 | SMILES: | c4(C(C)Oc1cc2c(cc1)ncc(c2C3CC3)[C@H]=CC(O)=O)c(c(ccc4Cl)N)Cl | InChi: | InChI=1S/C23H20Cl2N2O3/c1-12(21-17(24)6-7-18(26)23(21)25)30-15-5-8-19-16(10-15)22(13-2-3-13)14(11-27-19)4-9-20(28)29/h4-13H,2-3,26H2,1H3,(H,28,29)/b9-4+/t12-/m0/s1 | 定義日: | 2017-11-27 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid |
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![AJQ AJQ](https://data.pdbj.org/pdbjplus/data/cc/svg/AJQ.svg) | AJQ | 表記: | [(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid | 組成式: | C21 H30 N10 O15 P3 S3 | SMILES: | C[n+]1cn([CH]2O[CH](CS[P](O)(=O)O[P](S)(=O)O[P](O)(=O)SC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)N=C(N)Nc45)[CH](O)[CH]2O)c6N=C(N)NC(=O)c16 | InChi: | InChI=1S/C21H29N10O15P3S3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(44-19)3-52-48(40,41)46-49(42,50)45-47(38,39)51-2-6-10(32)12(34)18(43-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,50)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-,49-/m1/s1 | 定義日: | 2017-08-21 | 最終更新日: | 2018-04-27 | 公開日: | 2018-05-02 | 識別子(ID): | [(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid |
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