 | | 18S | | 表記: | N-({(2E)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | | 組成式: | C15 H21 N3 O5 S | | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(cc2)C | | InChi: | InChI=1S/C15H21N3O5S/c1-8-2-4-9(5-3-8)6-16-18-15(24)17-14-13(22)12(21)11(20)10(7-19)23-14/h2-6,10-14,19-22H,7H2,1H3,(H2,17,18,24)/b16-6+/t10-,11-,12+,13-,14-/m1/s1 | | 別名: | 4-methylbenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | | 定義日: | 2010-05-03 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-{[(2E)-2-(4-methylbenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
|
 | | 7LX | | 表記: | (2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid | | 組成式: | C20 H20 N2 O4 | | SMILES: | CCOc1ccc(cc1OC)[CH](Nc2ccc3cnccc3c2)C(O)=O | | InChi: | InChI=1S/C20H20N2O4/c1-3-26-17-7-5-14(11-18(17)25-2)19(20(23)24)22-16-6-4-15-12-21-9-8-13(15)10-16/h4-12,19,22H,3H2,1-2H3,(H,23,24)/t19-/m1/s1 | | 別名: | 2-(4-ethoxy-3-methoxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid | | 定義日: | 2016-12-13 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-06-21 | | 識別子（ID）: | (2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid |
|
 | | 7M0 | | 表記: | 5,6-DIBROMOBENZOTRIAZOLE | | 組成式: | C6 H3 Br2 N3 | | SMILES: | Brc1cc2[nH]nnc2cc1Br | | InChi: | InChI=1S/C6H3Br2N3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11) | | 別名: | DIBROMO-2-BENZOTRIAZOLE | | 定義日: | 2016-11-18 | | 最終更新日: | 2021-03-01 | | 公開日: | 2018-01-17 | | 識別子（ID）: | 5,6-bis(bromanyl)-1~{H}-benzotriazole |
|
 | | 7PD | | 表記: | 2-aminopteridine-4,7(3H,8H)-dione | | 組成式: | C6 H5 N5 O2 | | SMILES: | C2=NC=1C(=O)NC(=NC=1NC2=O)N | | InChi: | InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13) | | 別名: | isoxanthopterin | | 定義日: | 2016-11-28 | | 最終更新日: | 2021-03-01 | | 公開日: | 2020-12-16 | | 識別子（ID）: | 2-aminopteridine-4,7(3H,8H)-dione |
|
 | | 7PH | | 表記: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate | | 組成式: | C29 H57 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)O | | InChi: | InChI=1S/C29H57O8P/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(31)37-27(26-36-38(32,33)34)25-35-28(30)23-21-19-17-15-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m1/s1 | | 別名: | PHOSPHATIDIC ACID | | 定義日: | 2008-04-28 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate |
|
 | | 7S1 | | 表記: | N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine | | 組成式: | C19 H17 N5 | | SMILES: | C(NC#N)(NC(C)c1ccccc1)=Nc3c2cccnc2ccc3 | | InChi: | InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m1/s1 | | 別名: | antagonist A804598 | | 定義日: | 2016-12-02 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-01-04 | | 識別子（ID）: | N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine |
|
 | | 7S4 | | 表記: | N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide | | 組成式: | C26 H30 N6 O3 | | SMILES: | c1(cc(c(OC)cc1)OC)CC(NC(C(C)(C)C)NC(=N/C#N)Nc2cccc3c2cccn3)=O | | InChi: | InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)/t24-/m0/s1 | | 別名: | antagonist A740003 | | 定義日: | 2016-12-02 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-01-11 | | 識別子（ID）: | N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide |
|
 | | 7VJ | | 表記: | 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one | | 組成式: | C5 H7 N5 O2 | | SMILES: | N(=O)C1=C(N=C(N)NC1=O)NC | | InChi: | InChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11) | | 別名: | 6-METHYLAMINO-5-NITROSOISOCYTOSINE | | 定義日: | 2016-12-08 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-12-06 | | 識別子（ID）: | 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one |
|
 | | 7WB | | 表記: | (2Z)-2-indol-3-ylidene-3H-1,3-thiazole | | 組成式: | C11 H8 N2 S1 | | SMILES: | N1C=CSC1=C2C=Nc3ccccc23 | | InChi: | InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,12H/b11-9+ | | 別名: | Camalexin | | 定義日: | 2015-06-15 | | 最終更新日: | 2021-03-01 | | 公開日: | 2016-06-29 | | 識別子（ID）: | (2Z)-2-indol-3-ylidene-3H-1,3-thiazole |
|
 | | 7Z1 | | 表記: | (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone | | 組成式: | C29 H29 F N4 O2 | | SMILES: | CCOc1ccc(F)c(c1)[CH](Nc2ccc3c(N)nccc3c2)C(=O)N4CCC[CH]4c5ccccc5 | | InChi: | InChI=1S/C29H29FN4O2/c1-2-36-22-11-13-25(30)24(18-22)27(33-21-10-12-23-20(17-21)14-15-32-28(23)31)29(35)34-16-6-9-26(34)19-7-4-3-5-8-19/h3-5,7-8,10-15,17-18,26-27,33H,2,6,9,16H2,1H3,(H2,31,32)/t26-,27-/m1/s1 | | 別名: | 2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone | | 定義日: | 2016-12-13 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-06-21 | | 識別子（ID）: | (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone |
|
 | | 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 |
|
 | | 3O1 | | 表記: | tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | | 組成式: | C15 H24 N2 O5 S | | SMILES: | O=S(=O)(N)c1ccc(OCCCCNC(=O)OC(C)(C)C)cc1 | | InChi: | InChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20) | | 別名: | tert-butyl 6-(4-sulfamoylphenoxy)hexylcarbamate | | 定義日: | 2014-09-26 | | 最終更新日: | 2021-03-01 | | 公開日: | 2015-04-15 | | 識別子（ID）: | tert-butyl [4-(4-sulfamoylphenoxy)butyl]carbamate |
|
 | | 3O5 | | 表記: | 4-(4-sulfamoyl-phenoxy)-butylammonium | | 組成式: | C10 H16 N2 O3 S | | SMILES: | O=S(=O)(N)c1ccc(OCCCCN)cc1 | | InChi: | InChI=1S/C10H16N2O3S/c11-7-1-2-8-15-9-3-5-10(6-4-9)16(12,13)14/h3-6H,1-2,7-8,11H2,(H2,12,13,14) | | 別名: | 4-(4-aminobutoxy)benzenesulfonamide | | 定義日: | 2014-09-26 | | 最終更新日: | 2021-03-01 | | 公開日: | 2015-04-15 | | 識別子（ID）: | 4-(4-aminobutoxy)benzenesulfonamide |
|
 | | 3QA | | 表記: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol | | 組成式: | C17 H27 N5 O3 S | | SMILES: | OCCOCCSCCC3CN(Cc2cnc1c2ncnc1N)CC3O | | InChi: | InChI=1S/C17H27N5O3S/c18-17-16-15(20-11-21-17)13(7-19-16)9-22-8-12(14(24)10-22)1-5-26-6-4-25-3-2-23/h7,11-12,14,19,23-24H,1-6,8-10H2,(H2,18,20,21)/t12-,14-/m0/s1 | | 別名: | 2-(2-hydroxyethoxy)ethylthiomethyl-DADMe-Immucillin-A | | 定義日: | 2014-10-06 | | 最終更新日: | 2021-03-01 | | 公開日: | 2015-11-25 | | 識別子（ID）: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol |
|
 | | 3QM | | 表記: | [(2R)-2-nitrosopropyl]benzene | | 組成式: | C9 H11 N O | | SMILES: | O=NC(Cc1ccccc1)C | | InChi: | InChI=1S/C9H11NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1 | | 別名: | 2-nitroso-1-phenylpropane | | 定義日: | 2014-10-08 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-05-10 | | 識別子（ID）: | [(2R)-2-nitrosopropyl]benzene |
|
 | | 3T5 | | 表記: | (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate | | 組成式: | C22 H30 F O8 P | | SMILES: | O=P(O)(O)OCC(=O)C4(O)C3(C(C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)C3)CC4C)C | | InChi: | InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | | 別名: | Dexamethasone 21-phosphate | | 定義日: | 2011-08-15 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (11alpha,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate |
|
 | | 3VL | | 表記: | methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate | | 組成式: | C30 H35 N O10 | | SMILES: | O=C(OC)C5c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3C(OC4OC(C(O)C(N(C)C)C4)C)CC5(O)CC | | InChi: | InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19-,20-,24-,25+,30+/m0/s1 | | 別名: | aclacinomycin T | | 定義日: | 2014-11-14 | | 最終更新日: | 2021-03-01 | | 公開日: | 2015-07-29 | | 識別子（ID）: | methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate |
|
 | | 3VN | | 表記: | (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid | | 組成式: | C14 H30 N4 O4 | | SMILES: | O=C(O)C(N)(CCC(N)(C(=O)O)CCCCN)CCCCN | | InChi: | InChI=1S/C14H30N4O4/c15-9-3-1-5-13(17,11(19)20)7-8-14(18,12(21)22)6-2-4-10-16/h1-10,15-18H2,(H,19,20)(H,21,22)/t13-,14-/m1/s1 | | 別名: | bis-Lysine | | 定義日: | 2014-11-14 | | 最終更新日: | 2021-03-01 | | 公開日: | 2016-02-17 | | 識別子（ID）: | (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid (non-preferred name) |
|
 | | 3VV | | 表記: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | | 組成式: | C39 H68 N7 O17 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1 | | 別名: | oleoyl-CoA | | 定義日: | 2014-11-19 | | 最終更新日: | 2021-03-01 | | 公開日: | 2015-02-18 | | 識別子（ID）: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) |
|
 | | 3W3 | | 表記: | 4-(allyloxy)benzenesulfonamide | | 組成式: | C9 H11 N O3 S | | SMILES: | O=S(=O)(N)c1ccc(OCC=C)cc1 | | InChi: | InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12) | | 別名: | 4-(prop-2-en-1-yloxy)benzenesulfonamide | | 定義日: | 2014-11-24 | | 最終更新日: | 2021-03-01 | | 公開日: | 2015-04-22 | | 識別子（ID）: | 4-(prop-2-en-1-yloxy)benzenesulfonamide |
|
 | | 3XW | | 表記: | 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile | | 組成式: | C28 H27 F3 N8 S | | SMILES: | N#Cc2n(c1ccc(c(c1c2)C)CN5CCC(Nc3ncnc4sc(cc34)CC(F)(F)F)CC5)Cc6cnnc6 | | InChi: | InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37) | | 別名: | MI-503 | | 定義日: | 2014-12-08 | | 最終更新日: | 2021-03-01 | | 公開日: | 2015-04-15 | | 識別子（ID）: | 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
|
 | | 979 | | 表記: | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE | | 組成式: | C24 H25 N5 O | | SMILES: | n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCN5CCNCC5 | | InChi: | InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28) | | 別名: | FURANOPYRIDIMIDINE 1 | | 定義日: | 2007-01-12 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 5,6-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine |
|
 | | 98M | | 表記: | 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | | 組成式: | C27 H31 Cl N8 O2 | | SMILES: | c1(nc(ccc1)N2N(C(=O)c3c2nc(nc3)Nc5cc(Cl)c(N4CCN(CC4)C)cc5)CC=C)C(O)(C)C | | InChi: | InChI=1S/C27H31ClN8O2/c1-5-11-35-25(37)19-17-29-26(32-24(19)36(35)23-8-6-7-22(31-23)27(2,3)38)30-18-9-10-21(20(28)16-18)34-14-12-33(4)13-15-34/h5-10,16-17,38H,1,11-15H2,2-4H3,(H,29,30,32) | | 別名: | RAC-IV-099 | | 定義日: | 2017-04-09 | | 最終更新日: | 2021-03-01 | | 公開日: | 2018-04-04 | | 識別子（ID）: | 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
|
 | | 99J | | 表記: | 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | | 組成式: | C26 H27 F3 N8 O2 | | SMILES: | c5c(Nc2ncc1C(=O)N(CC=C)N(c1n2)c3nc(ccc3)C(O)C(F)(F)F)ccc(N4CCN(C)CC4)c5 | | InChi: | InChI=1S/C26H27F3N8O2/c1-3-11-36-24(39)19-16-30-25(31-17-7-9-18(10-8-17)35-14-12-34(2)13-15-35)33-23(19)37(36)21-6-4-5-20(32-21)22(38)26(27,28)29/h3-10,16,22,38H,1,11-15H2,2H3,(H,30,31,33)/t22-/m0/s1 | | 別名: | RAC-IV-016 | | 定義日: | 2017-04-11 | | 最終更新日: | 2021-03-01 | | 公開日: | 2018-04-04 | | 識別子（ID）: | 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
|
 | | 9B4 | | 表記: | (2R,5R,13R,16R)-9-(hydroxymethyl)-9-{[(2R)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol | | 組成式: | C20 H42 O9 | | SMILES: | CC(COCC(CO)(COCC(C)O)COCC(OCC(O)C)C)OCC(O)C | | InChi: | InChI=1S/C20H42O9/c1-15(22)6-25-12-20(11-21,13-26-9-18(4)28-7-16(2)23)14-27-10-19(5)29-8-17(3)24/h15-19,21-24H,6-14H2,1-5H3/t15-,16-,17-,18-,19-/m1/s1 | | 別名: | Pentaerythritol propoxylate (5/4 PO/OH) | | 定義日: | 2017-04-14 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-10-25 | | 識別子（ID）: | (2R,5R,13R,16R)-9-(hydroxymethyl)-9-{[(2R)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol |
|
