![RRY RRY](https://data.pdbj.org/pdbjplus/data/cc/svg/RRY.svg) | RRY | 表記: | 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose | 組成式: | C6 H10 Cl2 O4 | SMILES: | OC1C(O)C(CCl)OC1(CCl)O | InChi: | InChI=1S/C6H10Cl2O4/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,9-11H,1-2H2/t3-,4-,5+,6-/m1/s1 | 定義日: | 2020-02-24 | 最終更新日: | 2021-02-23 | 公開日: | 2020-07-29 | 識別子(ID): | 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose |
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![Z8G Z8G](https://data.pdbj.org/pdbjplus/data/cc/svg/Z8G.svg) | Z8G | 表記: | N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide | 組成式: | C26 H25 F8 N O4 S | SMILES: | c1(C(C(F)(F)F)(F)C(F)(F)F)cc2c(cc1)C3(C(CC2)C(CC3)NC(=O)C(O)(C)C)S(=O)(c4ccc(cc4)F)=O | InChi: | InChI=1S/C26H25F8NO4S/c1-22(2,37)21(36)35-20-11-12-23(40(38,39)17-7-5-16(27)6-8-17)18-10-4-15(13-14(18)3-9-19(20)23)24(28,25(29,30)31)26(32,33)34/h4-8,10,13,19-20,37H,3,9,11-12H2,1-2H3,(H,35,36)/t19-,20+,23+/m0/s1 | 定義日: | 2020-11-17 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide |
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![WEM WEM](https://data.pdbj.org/pdbjplus/data/cc/svg/WEM.svg) | WEM | 表記: | methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | 組成式: | C24 H20 F2 N4 O5 S | SMILES: | C13=CN(C(=O)c2c1c(cn2)CN(c4c3cc(CS(C)(=O)=O)c(c4)C(=O)OC)c5c(F)cc(cn5)F)C | InChi: | InChI=1S/C24H20F2N4O5S/c1-29-10-17-16-4-12(11-36(3,33)34)15(24(32)35-2)6-19(16)30(22-18(26)5-14(25)8-28-22)9-13-7-27-21(20(13)17)23(29)31/h4-8,10,27H,9,11H2,1-3H3 | 定義日: | 2020-10-21 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate |
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![WEP WEP](https://data.pdbj.org/pdbjplus/data/cc/svg/WEP.svg) | WEP | 表記: | N-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide | 組成式: | C56 H67 F2 N9 O8 S2 | SMILES: | c8sc(c1ccc(cc1)CNC(C2CC(O)CN2C(C(C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)c3cc5c(cc3CS(C)(=O)=O)C4=CN(C(c7c4c(CN5c6c(F)cc(F)cn6)cn7)=O)C)=O)=O)c(C)n8 | InChi: | InChI=1S/C56H67F2N9O8S2/c1-33-49(76-32-63-33)35-18-16-34(17-19-35)25-62-53(71)45-23-39(68)29-67(45)55(73)50(56(2,3)4)64-46(69)15-13-11-9-7-8-10-12-14-20-59-52(70)40-24-44-41(21-36(40)31-77(6,74)75)42-30-65(5)54(72)48-47(42)37(26-60-48)28-66(44)51-43(58)22-38(57)27-61-51/h16-19,21-22,24,26-27,30,32,39,45,50,60,68H,7-15,20,23,25,28-29,31H2,1-6H3,(H,59,70)(H,62,71)(H,64,69)/t39-,45+,50-/m1/s1 | 定義日: | 2020-10-21 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | N-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
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![X3M X3M](https://data.pdbj.org/pdbjplus/data/cc/svg/X3M.svg) | X3M | 表記: | (2R)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid | 組成式: | C16 H22 O5 | SMILES: | C(c1ccc(cc1)C(C)(C)C)CC(C(O)=O)(CC(O)=O)O | InChi: | InChI=1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/m1/s1 | 定義日: | 2020-11-24 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (2R)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid |
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![XR8 XR8](https://data.pdbj.org/pdbjplus/data/cc/svg/XR8.svg) | XR8 | 表記: | 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide | 組成式: | C28 H34 N4 O S | SMILES: | CC(NC(c1cc(ccc1C)NC2CNC2)=O)c5cc(c3sc(cc3)CN4CCCC4)ccc5 | InChi: | InChI=1S/C28H34N4OS/c1-19-8-9-23(31-24-16-29-17-24)15-26(19)28(33)30-20(2)21-6-5-7-22(14-21)27-11-10-25(34-27)18-32-12-3-4-13-32/h5-11,14-15,20,24,29,31H,3-4,12-13,16-18H2,1-2H3,(H,30,33)/t20-/m1/s1 | 定義日: | 2021-01-12 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide |
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![XT7 XT7](https://data.pdbj.org/pdbjplus/data/cc/svg/XT7.svg) | XT7 | 表記: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide | 組成式: | C29 H36 N4 O2 S | SMILES: | CC(NC(c1cc(ccc1C)NC2CNC2)=O)c3cc(ccc3)c5ccc(CNC4CC(CC4)O)s5 | InChi: | InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22+,25-/m1/s1 | 定義日: | 2021-01-12 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide |
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![Y54 Y54](https://data.pdbj.org/pdbjplus/data/cc/svg/Y54.svg) | Y54 | 表記: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide | 組成式: | C29 H36 N4 O2 S | SMILES: | CC(NC(c1cc(ccc1C)NC2CNC2)=O)c3cc(ccc3)c4sc(cc4)CNC5CCC(O)C5 | InChi: | InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22-,25+/m1/s1 | 定義日: | 2021-02-04 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide |
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![Y61 Y61](https://data.pdbj.org/pdbjplus/data/cc/svg/Y61.svg) | Y61 | 表記: | N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide | 組成式: | C26 H30 N4 O2 S | SMILES: | N(C(c1cc(ccc1C)NC2CNC2)=O)C(c3cc(ccc3)c4sc(cc4)CNC(C)=O)C | InChi: | InChI=1S/C26H30N4O2S/c1-16-7-8-21(30-22-13-27-14-22)12-24(16)26(32)29-17(2)19-5-4-6-20(11-19)25-10-9-23(33-25)15-28-18(3)31/h4-12,17,22,27,30H,13-15H2,1-3H3,(H,28,31)(H,29,32)/t17-/m1/s1 | 定義日: | 2021-02-05 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide |
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![Y97 Y97](https://data.pdbj.org/pdbjplus/data/cc/svg/Y97.svg) | Y97 | 表記: | 5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide | 組成式: | C28 H34 N4 O2 S | SMILES: | C[CH](NC(=O)c1cc(NC2CNC2)ccc1C)c3cccc(c3)c4sc(CN[CH]5CCOC5)cc4 | InChi: | InChI=1S/C28H34N4O2S/c1-18-6-7-22(32-24-14-29-15-24)13-26(18)28(33)31-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)16-30-23-10-11-34-17-23/h3-9,12-13,19,23-24,29-30,32H,10-11,14-17H2,1-2H3,(H,31,33)/t19-,23-/m1/s1 | 定義日: | 2021-02-11 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | 5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide |
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![GV6 GV6](https://data.pdbj.org/pdbjplus/data/cc/svg/GV6.svg) | GV6 | 表記: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S,3S)-2-azanyl-3-methyl-pentanoate | 組成式: | C16 H25 N6 O8 P | SMILES: | CC[CH](C)[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C16H25N6O8P/c1-3-7(2)9(17)16(25)30-31(26,27)28-4-8-11(23)12(24)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-9,11-12,15,23-24H,3-4,17H2,1-2H3,(H,26,27)(H2,18,19,20)/t7-,8+,9-,11+,12+,15+/m0/s1 | 定義日: | 2020-09-29 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S},3~{S})-2-azanyl-3-methyl-pentanoate |
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![GVU GVU](https://data.pdbj.org/pdbjplus/data/cc/svg/GVU.svg) | GVU | 表記: | (2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-9-methyl-2-[(1E,3E)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid | 組成式: | C36 H52 O11 | SMILES: | CCCC[C]1(CC[C]2(CC[CH](C)[CH](CC=C(C)C=C[CH](O)[CH](C)C=CC(O)=O)O2)O[CH]1C=CC(C)=CC(O)=O)OC(=O)CCC(O)=O | InChi: | InChI=1S/C36H52O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/m0/s1 | 定義日: | 2020-09-29 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (2~{E},4~{S},5~{S},6~{E},8~{E})-10-[(2~{S},3~{R},6~{S},8~{R},9~{S})-3-butyl-9-methyl-2-[(1~{E},3~{E})-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid |
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![OR9 OR9](https://data.pdbj.org/pdbjplus/data/cc/svg/OR9.svg) | OR9 | 表記: | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | 組成式: | C17 H17 N O2 | SMILES: | C12Cc4ccc(c(c4c3c1c(CCN2C)ccc3)O)O | InChi: | InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | 定義日: | 2020-08-24 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol |
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![EYF EYF](https://data.pdbj.org/pdbjplus/data/cc/svg/EYF.svg) | EYF | 表記: | 1-[(3-methoxyphenyl)methyl]-~{N}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide | 組成式: | C16 H15 N3 O3 | SMILES: | COc1cccc(Cn2ccc3cc(cnc23)C(=O)NO)c1 | InChi: | InChI=1S/C16H15N3O3/c1-22-14-4-2-3-11(7-14)10-19-6-5-12-8-13(16(20)18-21)9-17-15(12)19/h2-9,21H,10H2,1H3,(H,18,20) | 定義日: | 2020-02-19 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | 1-[(3-methoxyphenyl)methyl]-~{N}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide |
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![EZU EZU](https://data.pdbj.org/pdbjplus/data/cc/svg/EZU.svg) | EZU | 表記: | 1-cyclopentyl-6-[[(2R)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one | 組成式: | C18 H24 N6 O3 | SMILES: | C[CH](NC1=Nc2n(ncc2C(=O)N1)C3CCCC3)C(=O)N4CC5(COC5)C4 | InChi: | InChI=1S/C18H24N6O3/c1-11(16(26)23-7-18(8-23)9-27-10-18)20-17-21-14-13(15(25)22-17)6-19-24(14)12-4-2-3-5-12/h6,11-12H,2-5,7-10H2,1H3,(H2,20,21,22,25)/t11-/m1/s1 | 定義日: | 2020-02-28 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | 1-cyclopentyl-6-[[(2~{R})-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one |
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![QS2 QS2](https://data.pdbj.org/pdbjplus/data/cc/svg/QS2.svg) | QS2 | 表記: | 9-cis-okenone | 組成式: | C41 H54 O2 | SMILES: | COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(C)c(C)c1C | InChi: | InChI=1S/C41H54O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-28H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22-,36-24+ | 定義日: | 2020-07-31 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E})-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(2,3,4-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one |
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![QSE QSE](https://data.pdbj.org/pdbjplus/data/cc/svg/QSE.svg) | QSE | 表記: | all-trans okenone | 組成式: | C41 H54 O2 | SMILES: | COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(C)c(C)c1C | InChi: | InChI=1S/C41H54O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-28H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22+,36-24+ | 定義日: | 2020-07-31 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(2,3,4-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one |
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![QZH QZH](https://data.pdbj.org/pdbjplus/data/cc/svg/QZH.svg) | QZH | 表記: | (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid | 組成式: | C12 H17 N O6 S | SMILES: | C[CH](O)[CH]([CH]1SC(=CCCCO)C(=N1)C(O)=O)C(O)=O | InChi: | InChI=1S/C12H17NO6S/c1-6(15)8(11(16)17)10-13-9(12(18)19)7(20-10)4-2-3-5-14/h4,6,8,10,14-15H,2-3,5H2,1H3,(H,16,17)(H,18,19)/b7-4-/t6-,8-,10-/m1/s1 | 定義日: | 2020-08-24 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid |
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![R3J R3J](https://data.pdbj.org/pdbjplus/data/cc/svg/R3J.svg) | R3J | 表記: | benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate | 組成式: | C24 H27 N5 O6 | SMILES: | C2(=O)C(=C(C(NCCc1cc(OC)ncc1)=O)N=C(N2)C(NC(OCc3ccccc3)=O)(C)C)O | InChi: | InChI=1S/C24H27N5O6/c1-24(2,29-23(33)35-14-16-7-5-4-6-8-16)22-27-18(19(30)21(32)28-22)20(31)26-12-10-15-9-11-25-17(13-15)34-3/h4-9,11,13,30H,10,12,14H2,1-3H3,(H,26,31)(H,29,33)(H,27,28,32) | 定義日: | 2020-01-28 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate |
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![RF8 RF8](https://data.pdbj.org/pdbjplus/data/cc/svg/RF8.svg) | RF8 | 表記: | hexadecanedioic acid | 組成式: | C16 H30 O4 | SMILES: | OC(=O)CCCCCCCCCCCCCCC(O)=O | InChi: | InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20) | 定義日: | 2020-09-28 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | hexadecanedioic acid |
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![RQG RQG](https://data.pdbj.org/pdbjplus/data/cc/svg/RQG.svg) | RQG | 表記: | (5-methyl-1-benzofuran-3-yl)acetic acid | 組成式: | C11 H10 O3 | SMILES: | C(Cc2c1cc(C)ccc1oc2)(O)=O | InChi: | InChI=1S/C11H10O3/c1-7-2-3-10-9(4-7)8(6-14-10)5-11(12)13/h2-4,6H,5H2,1H3,(H,12,13) | 定義日: | 2020-02-21 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (5-methyl-1-benzofuran-3-yl)acetic acid |
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![RQJ RQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/RQJ.svg) | RQJ | 表記: | deoxyproclavaminic acid | 組成式: | C8 H14 N2 O3 | SMILES: | N1(C(C(=O)O)CCCN)C(=O)CC1 | InChi: | InChI=1S/C8H14N2O3/c9-4-1-2-6(8(12)13)10-5-3-7(10)11/h6H,1-5,9H2,(H,12,13)/t6-/m0/s1 | 別名: | (2S)-5-amino-2-(2-oxoazetidin-1-yl)pentanoic acid | 定義日: | 2020-02-21 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (2S)-5-amino-2-(2-oxoazetidin-1-yl)pentanoic acid |
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![RQV RQV](https://data.pdbj.org/pdbjplus/data/cc/svg/RQV.svg) | RQV | 表記: | N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide | 組成式: | C23 H22 N4 O2 | SMILES: | c1(C#N)ccc2c(c1)nc(cc2CN3CCOCC3)c4ccc(NC(=O)C)cc4 | InChi: | InChI=1S/C23H22N4O2/c1-16(28)25-20-5-3-18(4-6-20)22-13-19(15-27-8-10-29-11-9-27)21-7-2-17(14-24)12-23(21)26-22/h2-7,12-13H,8-11,15H2,1H3,(H,25,28) | 定義日: | 2020-02-24 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide |
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![SK0 SK0](https://data.pdbj.org/pdbjplus/data/cc/svg/SK0.svg) | SK0 | 表記: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol | 組成式: | C16 H16 Cl N O2 | SMILES: | c31c(CCNCC1c2ccccc2)c(Cl)c(c(c3)O)O | InChi: | InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2/t13-/m1/s1 | 定義日: | 2020-08-24 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol |
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![SK9 SK9](https://data.pdbj.org/pdbjplus/data/cc/svg/SK9.svg) | SK9 | 表記: | (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol | 組成式: | C18 H20 Cl N O2 | SMILES: | c2(cc3C(c1cccc(c1)C)CN(CCc3c(c2O)Cl)C)O | InChi: | InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3/t15-/m1/s1 | 定義日: | 2020-08-24 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol |
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