| B0X | 表記: | 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid | 組成式: | C23 H21 N3 O4 | SMILES: | Cn1c(COc2cccc(c2)C(O)=O)nc3ccc(Oc4ccc(C)nc4C)cc13 | InChi: | InChI=1S/C23H21N3O4/c1-14-7-10-21(15(2)24-14)30-18-8-9-19-20(12-18)26(3)22(25-19)13-29-17-6-4-5-16(11-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28) | 定義日: | 2018-12-28 | 最終更新日: | 2019-03-22 | 公開日: | 2019-03-27 | 識別子(ID): | 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid |
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| B1O | 表記: | 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid | 組成式: | C23 H20 F N3 O4 | SMILES: | Cn1c(COc2cccc(c2)C(O)=O)nc3ccc(Oc4ccc(C)nc4C)c(F)c13 | InChi: | InChI=1S/C23H20FN3O4/c1-13-7-9-18(14(2)25-13)31-19-10-8-17-22(21(19)24)27(3)20(26-17)12-30-16-6-4-5-15(11-16)23(28)29/h4-11H,12H2,1-3H3,(H,28,29) | 定義日: | 2018-12-28 | 最終更新日: | 2019-03-22 | 公開日: | 2019-03-27 | 識別子(ID): | 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid |
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| RJR | 表記: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol | 組成式: | C23 H37 N3 O5 | SMILES: | O[CH]1C[CH](O)[CH](Cn2cc(CCCOCC34CC5CC(CC(C5)C3)C4)nn2)[CH](O)[CH]1O | InChi: | InChI=1S/C23H37N3O5/c27-19-7-20(28)22(30)21(29)18(19)12-26-11-17(24-25-26)2-1-3-31-13-23-8-14-4-15(9-23)6-16(5-14)10-23/h11,14-16,18-22,27-30H,1-10,12-13H2/t14-,15+,16-,18-,19-,20-,21+,22+,23-/m0/s1 | 定義日: | 2018-12-11 | 最終更新日: | 2019-03-22 | 公開日: | 2019-03-27 | 識別子(ID): | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol |
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| YT4 | 表記: | methyl (2R)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate | 組成式: | C12 H15 N O4 S | SMILES: | COC(=O)[CH](CS)NC(=O)OCc1ccccc1 | InChi: | InChI=1S/C12H15NO4S/c1-16-11(14)10(8-18)13-12(15)17-7-9-5-3-2-4-6-9/h2-6,10,18H,7-8H2,1H3,(H,13,15)/t10-/m0/s1 | 定義日: | 2018-03-20 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | methyl (2~{R})-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate |
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| X | 表記: | 2'-DEOXY-N7-(8,9-DIHYDRO-9-HYDROXY-10-DEHYDROXY-AFLATOXIN)GUANOSINE MONOPHOSPHATE | 組成式: | C27 H27 N5 O14 P | SMILES: | P(=O)(O)(O)OCC1OC(CC1O)n2c[n+](c3C(=O)NC(N)=Nc23)C8OC7Oc6cc(c5C=4CCC(=O)C=4C(Oc5c6C7C8O)=O)OC | InChi: | InChI=1S/C27H26N5O14P/c1-41-11-5-12-17(21-16(11)8-2-3-9(33)15(8)25(37)45-21)18-20(35)24(46-26(18)44-12)32-7-31(22-19(32)23(36)30-27(28)29-22)14-4-10(34)13(43-14)6-42-47(38,39)40/h5,7,10,13-14,18,20,24,26,34-35H,2-4,6H2,1H3,(H4-,28,29,30,36,38,39,40)/p+1/t10-,13+,14+,18+,20+,24+,26-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2019-03-15 | 識別子(ID): | 2'-deoxy-7-[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl]guanosine 5'-(dihydrogen phosphate) |
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| HQG | 表記: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | 組成式: | C15 H24 N5 O17 P3 | SMILES: | C2(C(C(C(COP(O)(=O)OP(O)(=O)OCC1C(C(C(OP(=O)(O)O)O1)O)O)O2)O)O)n3c4c(nc3)c(ncn4)N | InChi: | InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(24)15(35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | 定義日: | 2018-07-16 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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| G4K | 表記: | Borussertib | 組成式: | C36 H34 N6 O3 | SMILES: | CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5nc6C=CNC(=O)c6cc5c7ccccc7)c2c1 | InChi: | InChI=1S/C36H34N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h3-14,17,20-21,27H,2,15-16,18-19,22H2,1H3,(H,37,44)(H,38,43)(H,40,45) | 定義日: | 2018-08-28 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | ~{N}-[2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1~{H}-benzimidazol-5-yl]propanamide |
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| G7J | 表記: | 5-hydroxy-1,2-dihydro-6H-indol-6-one | 組成式: | C8 H7 N O2 | SMILES: | N1CC=C2C=C(O)C(C=C12)=O | InChi: | InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1,3-4,9-10H,2H2 | 定義日: | 2018-05-11 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | 5-hydroxy-1,2-dihydro-6H-indol-6-one |
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| 9Z3 | 表記: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine | 組成式: | C12 H23 N2 O9 P S | SMILES: | C(=O)(C(C(C)(COP(O)(O)=O)C)O)NCCC(=O)NC(C(O)=O)CS | InChi: | InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1 | 定義日: | 2018-08-31 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine |
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| 9Z6 | 表記: | (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name) | 組成式: | C15 H28 N3 O11 P S2 | SMILES: | C(=O)(C(O)C(C)(COP(O)(=O)O)C)NCCC(NC(C(=O)O)CSSCC(N)C(O)=O)=O | InChi: | InChI=1S/C15H28N3O11PS2/c1-15(2,7-29-30(26,27)28)11(20)12(21)17-4-3-10(19)18-9(14(24)25)6-32-31-5-8(16)13(22)23/h8-9,11,20H,3-7,16H2,1-2H3,(H,17,21)(H,18,19)(H,22,23)(H,24,25)(H2,26,27,28)/t8-,9-,11-/m0/s1 | 定義日: | 2018-08-31 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name) |
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| F81 | 表記: | 2-bromo-6-methoxyphenol | 組成式: | C7 H7 Br O2 | SMILES: | c1(c(cccc1OC)Br)O | InChi: | InChI=1S/C7H7BrO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3 | 定義日: | 2018-03-12 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | 2-bromo-6-methoxyphenol |
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| F8J | 表記: | 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide | 組成式: | C30 H39 N7 O S | SMILES: | n1(c3cc(ccc3c(c1)CN2CCN(C)CC2)NC(=S)NCCc4cnc5ccccc45)CC(=O)NC(C)C | InChi: | InChI=1S/C30H39N7OS/c1-21(2)33-29(38)20-37-19-23(18-36-14-12-35(3)13-15-36)26-9-8-24(16-28(26)37)34-30(39)31-11-10-22-17-32-27-7-5-4-6-25(22)27/h4-9,16-17,19,21,32H,10-15,18,20H2,1-3H3,(H,33,38)(H2,31,34,39) | 定義日: | 2018-03-15 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide |
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| F9G | 表記: | 5-bromo-2-methoxyphenol | 組成式: | C7 H7 Br O2 | SMILES: | c1(c(ccc(c1)Br)OC)O | InChi: | InChI=1S/C7H7BrO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3 | 定義日: | 2018-03-20 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | 5-bromo-2-methoxyphenol |
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| EJK | 表記: | 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile | 組成式: | C19 H14 Cl F4 N O6 | SMILES: | OC[CH]1O[CH](Oc2ccc(cc2Cl)c3c(F)c(F)c(C#N)c(F)c3F)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C19H14ClF4NO6/c20-8-3-6(11-14(23)12(21)7(4-25)13(22)15(11)24)1-2-9(8)30-19-18(29)17(28)16(27)10(5-26)31-19/h1-3,10,16-19,26-29H,5H2/t10-,16-,17+,18+,19+/m1/s1 | 定義日: | 2018-03-23 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile |
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| EJN | 表記: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol | 組成式: | C18 H15 F5 O6 | SMILES: | OC[CH]1O[CH](Oc2ccc(cc2)c3c(F)c(F)c(F)c(F)c3F)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C18H15F5O6/c19-10-9(11(20)13(22)14(23)12(10)21)6-1-3-7(4-2-6)28-18-17(27)16(26)15(25)8(5-24)29-18/h1-4,8,15-18,24-27H,5H2/t8-,15-,16+,17+,18+/m1/s1 | 定義日: | 2018-03-23 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol |
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| GMQ | 表記: | 6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one | 組成式: | C34 H34 F N7 O5 | SMILES: | CN1N=C(C=C(Nc2ccc(cn2)C(=O)N3CCOCC3)C1=O)c4cccc(N5N=Cc6cc(cc(F)c6C5=O)C(C)(C)C)c4CO | InChi: | InChI=1S/C34H34FN7O5/c1-34(2,3)22-14-21-18-37-42(33(46)30(21)25(35)15-22)28-7-5-6-23(24(28)19-43)26-16-27(32(45)40(4)39-26)38-29-9-8-20(17-36-29)31(44)41-10-12-47-13-11-41/h5-9,14-18,43H,10-13,19H2,1-4H3,(H,36,38) | 定義日: | 2018-09-28 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | 6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one |
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| GMW | 表記: | (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one | 組成式: | C37 H37 F N6 O5 | SMILES: | CN1C(=O)C(=CC2=C1C[CH](O)Cc3c(cccc23)N4N=Cc5cc(cc(F)c5C4=O)C(C)(C)C)Nc6ccc(cn6)C(=O)N7CCOCC7 | InChi: | InChI=1S/C37H37FN6O5/c1-37(2,3)23-14-22-20-40-44(36(48)33(22)28(38)15-23)30-7-5-6-25-26(30)16-24(45)17-31-27(25)18-29(35(47)42(31)4)41-32-9-8-21(19-39-32)34(46)43-10-12-49-13-11-43/h5-9,14-15,18-20,24,45H,10-13,16-17H2,1-4H3,(H,39,41)/t24-/m0/s1 | 定義日: | 2018-09-28 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one |
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| BQL | 表記: | [(2~{S})-2-azanyl-3-oxidanylidene-propyl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 組成式: | C12 H18 N3 O10 P | SMILES: | N[CH](CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O)C=O | InChi: | InChI=1S/C12H18N3O10P/c13-6(3-16)4-23-26(21,22)24-5-7-9(18)10(19)11(25-7)15-2-1-8(17)14-12(15)20/h1-3,6-7,9-11,18-19H,4-5,13H2,(H,21,22)(H,14,17,20)/t6-,7-,9-,10-,11-/m1/s1 | 定義日: | 2019-03-04 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | [(2~{S})-2-azanyl-3-oxidanylidene-propyl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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| BQO | 表記: | [(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 組成式: | C13 H20 N3 O10 P | SMILES: | C[CH](O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O)[CH](N)C=O | InChi: | InChI=1S/C13H20N3O10P/c1-6(7(14)4-17)26-27(22,23)24-5-8-10(19)11(20)12(25-8)16-3-2-9(18)15-13(16)21/h2-4,6-8,10-12,19-20H,5,14H2,1H3,(H,22,23)(H,15,18,21)/t6-,7-,8-,10-,11-,12-/m1/s1 | 定義日: | 2019-03-04 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | [(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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| KQY | 表記: | 6-aminohexanamide | 組成式: | C6 H14 N2 O | SMILES: | O=C(CCCCCN)N | InChi: | InChI=1S/C6H14N2O/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H2,8,9) | 定義日: | 2019-01-08 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | 6-aminohexanamide |
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| GZ8 | 表記: | 4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid | 組成式: | C8 H6 O4 S | SMILES: | OC(=O)[CH]1C=CC(=S)C=C1C(O)=O | InChi: | InChI=1S/C8H6O4S/c9-7(10)5-2-1-4(13)3-6(5)8(11)12/h1-3,5H,(H,9,10)(H,11,12)/t5-/m1/s1 | 定義日: | 2018-10-26 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | 4-sulfanylidenecyclohexa-2,5-diene-1,2-dicarboxylic acid |
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| H2E | 表記: | 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one | 組成式: | C29 H32 N2 O5 S | SMILES: | C[CH](CN1CCOCC1)Oc2ccc3Sc4c(Cc3c2)cccc4C5=CC(=O)C=C(O5)N6CCOCC6 | InChi: | InChI=1S/C29H32N2O5S/c1-20(19-30-7-11-33-12-8-30)35-24-5-6-27-22(16-24)15-21-3-2-4-25(29(21)37-27)26-17-23(32)18-28(36-26)31-9-13-34-14-10-31/h2-6,16-18,20H,7-15,19H2,1H3/t20-/m1/s1 | 定義日: | 2018-11-08 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one |
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| KVD | 表記: | 5-(phenylethynyl)pyridine-3-carboxylic acid | 組成式: | C14 H9 N O2 | SMILES: | c1(ccccc1)C#Cc2cncc(C(O)=O)c2 | InChi: | InChI=1S/C14H9NO2/c16-14(17)13-8-12(9-15-10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,16,17) | 定義日: | 2019-01-18 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | 5-(phenylethynyl)pyridine-3-carboxylic acid |
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| KW1 | 表記: | ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid | 組成式: | C8 H9 Br N2 O4 S | SMILES: | C(SCC(O)=O)C(Nc1c(c(C)on1)Br)=O | InChi: | InChI=1S/C8H9BrN2O4S/c1-4-7(9)8(11-15-4)10-5(12)2-16-3-6(13)14/h2-3H2,1H3,(H,13,14)(H,10,11,12) | 定義日: | 2019-01-18 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid |
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| KWG | 表記: | 3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid | 組成式: | C19 H13 N O2 | SMILES: | c3c(C#Cc1cccc(C(O)=O)c1n2cccc2)cccc3 | InChi: | InChI=1S/C19H13NO2/c21-19(22)17-10-6-9-16(18(17)20-13-4-5-14-20)12-11-15-7-2-1-3-8-15/h1-10,13-14H,(H,21,22) | 定義日: | 2019-01-21 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | 3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid |
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