![E1R E1R](https://data.pdbj.org/pdbjplus/data/cc/svg/E1R.svg) | E1R | 表記: | (2S)-3-acetyloxy-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid | 組成式: | C13 H17 N2 O9 P | SMILES: | CC(=O)OC[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O | InChi: | InChI=1S/C13H17N2O9P/c1-7-12(17)10(9(3-14-7)5-24-25(20,21)22)4-15-11(13(18)19)6-23-8(2)16/h3-4,11,17H,5-6H2,1-2H3,(H,18,19)(H2,20,21,22)/b15-4+/t11-/m0/s1 | 定義日: | 2019-10-02 | 最終更新日: | 2020-09-18 | 公開日: | 2020-09-23 | 識別子(ID): | (2~{S})-3-acetyloxy-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid |
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![E1U E1U](https://data.pdbj.org/pdbjplus/data/cc/svg/E1U.svg) | E1U | 表記: | (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid | 組成式: | C11 H16 N2 O11 P2 | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CO[P](O)(O)=O)C(O)=O)c1O | InChi: | InChI=1S/C11H16N2O11P2/c1-6-10(14)8(7(2-12-6)4-23-25(17,18)19)3-13-9(11(15)16)5-24-26(20,21)22/h2-3,9,14H,4-5H2,1H3,(H,15,16)(H2,17,18,19)(H2,20,21,22)/t9-/m0/s1 | 定義日: | 2019-10-02 | 最終更新日: | 2020-09-18 | 公開日: | 2020-09-23 | 識別子(ID): | (2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid |
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![E3X E3X](https://data.pdbj.org/pdbjplus/data/cc/svg/E3X.svg) | E3X | 表記: | 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol | 組成式: | C12 H15 N O | SMILES: | CN1CCC(=CC1)c2ccc(O)cc2 | InChi: | InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3 | 定義日: | 2019-10-07 | 最終更新日: | 2020-09-18 | 公開日: | 2020-09-23 | 識別子(ID): | 4-(1-methyl-3,6-dihydro-2~{H}-pyridin-4-yl)phenol |
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![E7M E7M](https://data.pdbj.org/pdbjplus/data/cc/svg/E7M.svg) | E7M | 表記: | 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide | 組成式: | C30 H29 F3 N6 O2 | SMILES: | c5c4ncc(C#Cc1c(C)ccc(c1)C(Nc2cc(c(cc2)CNCCN3CCOCC3)C(F)(F)F)=O)n4ncc5 | InChi: | InChI=1S/C30H29F3N6O2/c1-21-4-5-23(17-22(21)7-9-26-20-35-28-3-2-10-36-39(26)28)29(40)37-25-8-6-24(27(18-25)30(31,32)33)19-34-11-12-38-13-15-41-16-14-38/h2-6,8,10,17-18,20,34H,11-16,19H2,1H3,(H,37,40) | 定義日: | 2017-12-06 | 最終更新日: | 2020-09-18 | 公開日: | 2020-09-23 | 識別子(ID): | 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide |
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![N1N N1N](https://data.pdbj.org/pdbjplus/data/cc/svg/N1N.svg) | N1N | 表記: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid | 組成式: | C21 H15 Cl2 N3 O4 S | SMILES: | Cc1[nH]c(C(=O)Nc2sc3cc(cc(OCc4ccccc4)c3n2)C(O)=O)c(Cl)c1Cl | InChi: | InChI=1S/C21H15Cl2N3O4S/c1-10-15(22)16(23)18(24-10)19(27)26-21-25-17-13(30-9-11-5-3-2-4-6-11)7-12(20(28)29)8-14(17)31-21/h2-8,24H,9H2,1H3,(H,28,29)(H,25,26,27) | 定義日: | 2019-11-06 | 最終更新日: | 2020-09-18 | 公開日: | 2020-09-23 | 識別子(ID): | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid |
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![N6E N6E](https://data.pdbj.org/pdbjplus/data/cc/svg/N6E.svg) | N6E | 表記: | N6-Methyladenosine 5'-triphosphate | 組成式: | C11 H18 N5 O13 P3 | SMILES: | CNc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C11H18N5O13P3/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | 定義日: | 2019-11-14 | 最終更新日: | 2020-09-18 | 公開日: | 2020-09-23 | 識別子(ID): | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![H8Q H8Q](https://data.pdbj.org/pdbjplus/data/cc/svg/H8Q.svg) | H8Q | 表記: | ~{N}-[(3~{S},6~{R},12~{R},15~{S},16~{S},19~{S},22~{S},25~{S})-25-[[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide | 組成式: | C53 H67 N9 O10 S | SMILES: | CC[CH]1NC(=O)[CH](NC(=O)c2ncccc2O)[CH](C)OC(=O)[CH](NC(=O)[CH]3CC(=O)[CH](CS[CH]4CN5CCC4CC5)CN3C(=O)[CH](Cc6ccc(cc6)N(C)C)N(C)C(=O)[CH]7CCCN7C1=O)c8ccccc8 | InChi: | InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37+,38+,39-,40-,43+,44-,45-/m0/s1 | 別名: | quinupristin | 定義日: | 2018-11-26 | 最終更新日: | 2020-09-16 | 公開日: | 2020-07-08 | 識別子(ID): | ~{N}-[(3~{S},6~{R},12~{R},15~{S},16~{S},19~{S},22~{S},25~{S})-25-[[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide |
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![SNZ SNZ](https://data.pdbj.org/pdbjplus/data/cc/svg/SNZ.svg) | SNZ | 表記: | N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea | 組成式: | C15 H16 N2 O5 | SMILES: | N(c1cc(c(O)cc1)O)C(=O)NCCc2ccc(c(c2)O)O | InChi: | InChI=1S/C15H16N2O5/c18-11-3-1-9(7-13(11)20)5-6-16-15(22)17-10-2-4-12(19)14(21)8-10/h1-4,7-8,18-21H,5-6H2,(H2,16,17,22) | 定義日: | 2019-09-19 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea |
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![VK7 VK7](https://data.pdbj.org/pdbjplus/data/cc/svg/VK7.svg) | VK7 | 表記: | trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | 組成式: | C30 H26 F8 N2 O5 S | SMILES: | c2(c(C(C(F)(F)F)(C(F)(F)F)F)cc1CCC4C(c1c2)(S(c3ccc(cc3)F)(=O)=O)CCN4C(=O)C5CCC(CC5)C(=O)O)C#N | InChi: | InChI=1S/C30H26F8N2O5S/c31-20-6-8-21(9-7-20)46(44,45)27-11-12-40(25(41)16-1-3-17(4-2-16)26(42)43)24(27)10-5-18-13-23(19(15-39)14-22(18)27)28(32,29(33,34)35)30(36,37)38/h6-9,13-14,16-17,24H,1-5,10-12H2,(H,42,43)/t16-,17-,24-,27-/m1/s1 | 定義日: | 2020-08-19 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid |
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![V7Y V7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/V7Y.svg) | V7Y | 表記: | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide | 組成式: | C30 H24 N8 O2 | SMILES: | Cn1cc(cn1)C#Cc6cccc2c6C(=O)N(C(=C2)C(C)NC(=O)c4c3ncccn3nc4N)c5ccccc5 | InChi: | InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1 | 定義日: | 2020-07-13 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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![V81 V81](https://data.pdbj.org/pdbjplus/data/cc/svg/V81.svg) | V81 | 表記: | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one | 組成式: | C24 H22 F3 N7 O | SMILES: | C(F)(F)(c1cc(cc3c1C(=O)N(C(C2CC2)C)C3)c4nc6n(cc4)nc(c6c5cn(C)nc5)N)F | InChi: | InChI=1S/C24H22F3N7O/c1-12(13-3-4-13)33-11-15-7-14(8-17(24(25,26)27)19(15)23(33)35)18-5-6-34-22(30-18)20(21(28)31-34)16-9-29-32(2)10-16/h5-10,12-13H,3-4,11H2,1-2H3,(H2,28,31)/t12-/m0/s1 | 定義日: | 2020-07-13 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one |
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![QWQ QWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QWQ.svg) | QWQ | 表記: | 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine | 組成式: | C26 H30 N2 O3 | SMILES: | COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(CN4CCCC4)cc3 | InChi: | InChI=1S/C26H30N2O3/c1-18-22(20-9-7-19(8-10-20)17-28-11-5-6-12-28)15-27-16-23(18)21-13-24(29-2)26(31-4)25(14-21)30-3/h7-10,13-16H,5-6,11-12,17H2,1-4H3 | 定義日: | 2020-08-14 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine |
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![OQE OQE](https://data.pdbj.org/pdbjplus/data/cc/svg/OQE.svg) | OQE | 表記: | [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid | 組成式: | C16 H18 N O5 P | SMILES: | O[P](O)(=O)c1ccccc1OCC(=O)NCCc2ccccc2 | InChi: | InChI=1S/C16H18NO5P/c18-16(17-11-10-13-6-2-1-3-7-13)12-22-14-8-4-5-9-15(14)23(19,20)21/h1-9H,10-12H2,(H,17,18)(H2,19,20,21) | 定義日: | 2020-03-27 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid |
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![P7K P7K](https://data.pdbj.org/pdbjplus/data/cc/svg/P7K.svg) | P7K | 表記: | (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione | 組成式: | C20 H16 O5 | SMILES: | COc1cccc2C(=O)c3c(ccc4C[C](C)(O)CC(=O)c34)C(=O)c12 | InChi: | InChI=1S/C20H16O5/c1-20(24)8-10-6-7-12-17(15(10)13(21)9-20)19(23)11-4-3-5-14(25-2)16(11)18(12)22/h3-7,24H,8-9H2,1-2H3/t20-/m1/s1 | 定義日: | 2020-04-16 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
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![P7Q P7Q](https://data.pdbj.org/pdbjplus/data/cc/svg/P7Q.svg) | P7Q | 表記: | (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione | 組成式: | C20 H16 O6 | SMILES: | COc1cccc2C(=O)c3c4C(=O)C[C](C)(O)Cc4cc(O)c3C(=O)c12 | InChi: | InChI=1S/C20H16O6/c1-20(25)7-9-6-11(21)16-17(14(9)12(22)8-20)18(23)10-4-3-5-13(26-2)15(10)19(16)24/h3-6,21,25H,7-8H2,1-2H3/t20-/m1/s1 | 定義日: | 2020-04-16 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
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![PJK PJK](https://data.pdbj.org/pdbjplus/data/cc/svg/PJK.svg) | PJK | 表記: | (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid | 組成式: | C12 H11 Cl F3 N O2 | SMILES: | OC(=O)[CH]1CCN(C1)c2ccc(Cl)c(c2)C(F)(F)F | InChi: | InChI=1S/C12H11ClF3NO2/c13-10-2-1-8(5-9(10)12(14,15)16)17-4-3-7(6-17)11(18)19/h1-2,5,7H,3-4,6H2,(H,18,19)/t7-/m0/s1 | 定義日: | 2020-04-22 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid |
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![Q25 Q25](https://data.pdbj.org/pdbjplus/data/cc/svg/Q25.svg) | Q25 | 表記: | 6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one | 組成式: | C18 H20 Cl N3 O S | SMILES: | CCCCCCc1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1 | InChi: | InChI=1S/C18H20ClN3OS/c1-2-3-4-5-6-17-21-14(11-24-17)10-22-12-20-16-8-7-13(19)9-15(16)18(22)23/h7-9,11-12H,2-6,10H2,1H3 | 定義日: | 2020-05-06 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | 6-chloranyl-3-[(2-hexyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one |
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![Q3J Q3J](https://data.pdbj.org/pdbjplus/data/cc/svg/Q3J.svg) | Q3J | 表記: | 12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one | 組成式: | C16 H20 B F2 N3 O | SMILES: | CCN(CC)c1ccc2C=C3C(=O)N(C)C(=[N+]3[B-](F)(F)c2c1)C | InChi: | InChI=1S/C16H20BF2N3O/c1-5-21(6-2)13-8-7-12-9-15-16(23)20(4)11(3)22(15)17(18,19)14(12)10-13/h7-10H,5-6H2,1-4H3 | 定義日: | 2019-09-13 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | 12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one |
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![Q4E Q4E](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4E.svg) | Q4E | 表記: | 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one | 組成式: | C16 H16 Cl N3 O S | SMILES: | CC(C)(C)c1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1 | InChi: | InChI=1S/C16H16ClN3OS/c1-16(2,3)15-19-11(8-22-15)7-20-9-18-13-5-4-10(17)6-12(13)14(20)21/h4-6,8-9H,7H2,1-3H3 | 定義日: | 2020-05-07 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one |
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![Q4T Q4T](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4T.svg) | Q4T | 表記: | 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid | 組成式: | C26 H22 Cl F3 N2 O4 | SMILES: | OC(=O)Cc1cc(F)ccc1NC(=O)c2cccc(c2F)c3cc(O[CH]4CCCNC4)c(Cl)cc3F | InChi: | InChI=1S/C26H22ClF3N2O4/c27-20-12-21(29)19(11-23(20)36-16-3-2-8-31-13-16)17-4-1-5-18(25(17)30)26(35)32-22-7-6-15(28)9-14(22)10-24(33)34/h1,4-7,9,11-12,16,31H,2-3,8,10,13H2,(H,32,35)(H,33,34)/t16-/m1/s1 | 定義日: | 2020-05-11 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid |
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![Q4W Q4W](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4W.svg) | Q4W | 表記: | 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one | 組成式: | C15 H16 Cl N3 O S | SMILES: | CC(C)[CH]1NC(=CS1)CN2C=Nc3ccc(Cl)cc3C2=O | InChi: | InChI=1S/C15H16ClN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-4-3-10(16)5-12(13)15(19)20/h3-5,7-9,14,18H,6H2,1-2H3/t14-/m0/s1 | 定義日: | 2020-05-12 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one |
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![Q6H Q6H](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6H.svg) | Q6H | 表記: | 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide | 組成式: | C18 H17 F N2 O3 Se | SMILES: | Fc1ccc([SeH])c(c1)C(=O)Nc2cccc(c2)C(=O)N3CCOCC3 | InChi: | InChI=1S/C18H17FN2O3Se/c19-13-4-5-16(25)15(11-13)17(22)20-14-3-1-2-12(10-14)18(23)21-6-8-24-9-7-21/h1-5,10-11,25H,6-9H2,(H,20,22) | 定義日: | 2020-05-22 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide |
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![Q7N Q7N](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7N.svg) | Q7N | 表記: | ~{N}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide | 組成式: | C15 H15 N O2 Se | SMILES: | COc1cccc(CNC(=O)c2ccccc2[SeH])c1 | InChi: | InChI=1S/C15H15NO2Se/c1-18-12-6-4-5-11(9-12)10-16-15(17)13-7-2-3-8-14(13)19/h2-9,19H,10H2,1H3,(H,16,17) | 定義日: | 2020-05-26 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | ~{N}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide |
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![Q7T Q7T](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7T.svg) | Q7T | 表記: | ~{N}-(phenylmethyl)-2-selanyl-benzamide | 組成式: | C14 H13 N O Se | SMILES: | [SeH]c1ccccc1C(=O)NCc2ccccc2 | InChi: | InChI=1S/C14H13NOSe/c16-14(12-8-4-5-9-13(12)17)15-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H,15,16) | 定義日: | 2020-05-26 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | ~{N}-(phenylmethyl)-2-selanyl-benzamide |
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![Q7W Q7W](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7W.svg) | Q7W | 表記: | ~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide | 組成式: | C14 H12 Cl N O Se | SMILES: | Clc1cccc(CNC(=O)c2ccccc2[SeH])c1 | InChi: | InChI=1S/C14H12ClNOSe/c15-11-5-3-4-10(8-11)9-16-14(17)12-6-1-2-7-13(12)18/h1-8,18H,9H2,(H,16,17) | 定義日: | 2020-05-26 | 最終更新日: | 2020-09-11 | 公開日: | 2020-09-16 | 識別子(ID): | ~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide |
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