![CK4 CK4](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/CK4.svg) | CK4 | 表記: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE | 組成式: | C16 H13 F3 N4 S | SMILES: | FC(F)(F)c1ccc(cc1)Nc3nc(c2sc(nc2C)C)ccn3 | InChi: | InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23) | 別名: | 4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(4-TRIFLUOROMETHYL-PHENYL)-AMINE | 定義日: | 2003-07-07 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine |
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![RNA RNA](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/RNA.svg) | RNA | 表記: | 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE | 組成式: | C16 H14 N2 O4 S2 | SMILES: | O=C1N=C(S/C1=Cc2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C | InChi: | InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9- | 別名: | (Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE | 定義日: | 2006-08-02 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-methyl-N-{(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide |
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![RYN RYN](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/RYN.svg) | RYN | 表記: | N-ethyl-N'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine | 組成式: | C9 H17 N5 S | SMILES: | S(c1nc(nc(n1)NC(C)C)NCC)C | InChi: | InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) | 別名: | Ametryn | 定義日: | 2010-03-05 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-ethyl-6-(methylsulfanyl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine |
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![S1T S1T](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/S1T.svg) | S1T | 表記: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | 組成式: | C15 H23 N3 O8 P2 S | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1sc(c(c1C)Cc2cnc(nc2N)C)C(O)C | InChi: | InChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m0/s1 | 別名: | 2-[(1S)-1-HYDROXYETHYL]-3-DEAZA-THDP | 定義日: | 2007-06-18 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1S)-1-hydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate |
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![CYR CYR](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/CYR.svg) | CYR | 表記: | N~5~-[{[(2R)-2-AMINO-2-CARBOXYETHYL]SULFANYL}(IMINIO)METHYL]-L-ORNITHINATE | 組成式: | C9 H19 N4 O4 S | SMILES: | O=C(O)C(N)CCCNC(SCC(N)C(=O)O)=[NH2+] | InChi: | InChI=1S/C9H18N4O4S/c10-5(7(14)15)2-1-3-13-9(12)18-4-6(11)8(16)17/h5-6H,1-4,10-11H2,(H2,12,13)(H,14,15)(H,16,17)/p+1/t5-,6-/m0/s1 | 別名: | L-CYSTEIN-S-1-(IMINOMETHYL)-L-ORNITHINE | 定義日: | 2005-08-04 | 最終更新日: | 2020-06-17 | 識別子(ID): | {[(4S)-4-amino-4-carboxybutyl]amino}{[(2R)-2-amino-2-carboxyethyl]sulfanyl}methaniminium |
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![SFI SFI](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/SFI.svg) | SFI | 表記: | 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid | 組成式: | C20 H17 F O2 S | SMILES: | O=C(O)CC=2c3cc(F)ccc3C(=C/c1ccc(SC)cc1)C=2C | InChi: | InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9- | 別名: | sulindac sulfide | 定義日: | 2011-05-19 | 最終更新日: | 2020-06-17 | 識別子(ID): | {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1H-inden-3-yl}acetic acid |
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![D76 D76](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/D76.svg) | D76 | 表記: | (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ
INE-2-CARBOXAMIDE | 組成式: | C23 H24 Cl N5 O4 S2 | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CC(C(=O)N)N(C(=O)c3nc4c(s3)CN(CC4)C)CC5 | InChi: | InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)/t19-/m1/s1 | 別名: | 1-[6-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO(5,4-C)PYRIDIN-2-YL]
CARBONYL-2-CARBAMOYL-4-(6-CHLORONAPHTH-2-YLSULPHONYL)PIPERAZINE | 定義日: | 2003-11-10 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperazine-2-carboxamide |
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![093 093](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/093.svg) | 093 | 表記: | N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE | 組成式: | C14 H16 Cl N3 O4 S2 | SMILES: | O=C(N=C1/SC(=C(N1)C)c2ccc(Cl)c(c2)S(=O)(=O)NCCO)C | InChi: | InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20) | 別名: | PIK-93 | 定義日: | 2006-03-16 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[(2Z)-5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide |
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![ESJ ESJ](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/ESJ.svg) | ESJ | 表記: | (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid | 組成式: | C11 H8 N2 O3 S2 | SMILES: | O=C(O)C1N=C(SC1)c2sc3cc(O)ccc3n2 | InChi: | InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1 | 別名: | D-LUCIFERIN | 定義日: | 2014-05-05 | 最終更新日: | 2020-06-17 | 公開日: | 2015-03-18 | 識別子(ID): | (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
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![EZL EZL](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/EZL.svg) | EZL | 表記: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide | 組成式: | C9 H10 N2 O3 S2 | SMILES: | O=S(=O)(c1nc2ccc(OCC)cc2s1)N | InChi: | InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13) | 別名: | Ethoxzolamide | 定義日: | 2008-02-21 | 最終更新日: | 2020-06-17 | 識別子(ID): | 6-ethoxy-1,3-benzothiazole-2-sulfonamide |
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![5G9 5G9](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/5G9.svg) | 5G9 | 表記: | 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine | 組成式: | C17 H11 Cl N4 S | SMILES: | n1c(ccc2ncccc12)c4c(c3cc(Cl)ccc3)nc(N)s4 | InChi: | InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22) | 別名: | GW780159X | 定義日: | 2015-09-22 | 最終更新日: | 2020-06-17 | 公開日: | 2015-09-30 | 識別子(ID): | 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine |
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![2BS 2BS](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/2BS.svg) | 2BS | 表記: | ethyl 2-amino-1,3-benzothiazole-6-carboxylate | 組成式: | C10 H10 N2 O2 S | SMILES: | CCOC(=O)c1ccc2nc(N)sc2c1 | InChi: | InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12) | 別名: | 2-amino-benzothiazole-6-carboxylic acid ethyl ester | 定義日: | 2009-11-03 | 最終更新日: | 2020-06-17 | 識別子(ID): | ethyl 2-azanyl-1,3-benzothiazole-6-carboxylate |
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![2CU 2CU](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/2CU.svg) | 2CU | 表記: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide | 組成式: | C19 H24 Cl N5 O3 S | SMILES: | Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C | InChi: | InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27) | 別名: | LY2119620 positive allosteric modulator of M2/M4 receptor | 定義日: | 2013-09-20 | 最終更新日: | 2020-06-17 | 公開日: | 2013-11-27 | 識別子(ID): | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide |
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![HAG HAG](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/HAG.svg) | HAG | 表記: | 4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-FURAN-2-OL | 組成式: | C19 H33 N3 O8 S | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC1C(OC(O)C1)CCCCC | InChi: | InChI=1S/C19H33N3O8S/c1-2-3-4-5-13-14(8-17(26)30-13)31-10-12(18(27)21-9-16(24)25)22-15(23)7-6-11(20)19(28)29/h11-14,17,26H,2-10,20H2,1H3,(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t11-,12-,13+,14-,17+/m0/s1 | 別名: | GSHNA | 定義日: | 1999-07-27 | 最終更新日: | 2020-06-17 | 識別子(ID): | L-gamma-glutamyl-S-[(2R,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-L-cysteinylglycine |
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![DH4 DH4](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/DH4.svg) | DH4 | 表記: | 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | 組成式: | C15 H25 N3 O3 S | SMILES: | O=C(O)C1NC(SC1(C)C)C(/N=C/N2CCCCCC2)C=O | InChi: | InChI=1S/C15H25N3O3S/c1-15(2)12(14(20)21)17-13(22-15)11(9-19)16-10-18-7-5-3-4-6-8-18/h9-13,17H,3-8H2,1-2H3,(H,20,21)/b16-10+/t11-,12?,13?/m1/s1 | 別名: | Mecillinam, bound form | 定義日: | 2010-06-25 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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![HGD HGD](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/HGD.svg) | HGD | 表記: | mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine) | 組成式: | C20 H32 Hg N6 O12 S2 | SMILES: | O=C(NC(C(=O)NCC(=O)O)CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N | InChi: | InChI=1S/2C10H17N3O6S.Hg/c2*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16 | 別名: | S-Mercury glutathione | 定義日: | 2013-10-31 | 最終更新日: | 2020-06-17 | 公開日: | 2014-03-19 | 識別子(ID): | mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine) |
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![HTL HTL](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/HTL.svg) | HTL | 表記: | 2-ACETYL-THIAMINE DIPHOSPHATE | 組成式: | C14 H21 N4 O8 P2 S | SMILES: | O=C(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)C | InChi: | InChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1 | 別名: | 2-ACETYL-3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-4-METHYL-5-(4,6,6-TRIHYDROXY-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)THIAZO
LIUM INNER SALT P,P'-DIOXIDE | 定義日: | 2001-11-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium |
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![BFT BFT](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/BFT.svg) | BFT | 表記: | S-BENZOYLTHIAMINE O-MONOPHOSPHATE | 組成式: | C19 H25 N4 O6 P S | SMILES: | O=P(O)(O)OCCC(SC(=O)c1ccccc1)C(N(C=O)Cc2cnc(nc2N)C)C | InChi: | InChI=1S/C19H25N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12-13,17H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/t13-,17+/m0/s1 | 別名: | BENFOTIAMINE | 定義日: | 2006-07-20 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1,2,4-trideoxy-3-S-(phenylcarbonyl)-5-O-phosphono-3-thio-D-erythro-pentitol |
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![JDR JDR](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/JDR.svg) | JDR | 表記: | 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide | 組成式: | C13 H13 Cl N4 O3 S2 | SMILES: | O=S(=O)(N)c1ccc(cc1)CNc2nc(SC)nc(Cl)c2C=O | InChi: | InChI=1S/C13H13ClN4O3S2/c1-22-13-17-11(14)10(7-19)12(18-13)16-6-8-2-4-9(5-3-8)23(15,20)21/h2-5,7H,6H2,1H3,(H2,15,20,21)(H,16,17,18) | 別名: | 4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide | 定義日: | 2010-03-29 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide |
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![UX7 UX7](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/UX7.svg) | UX7 | 表記: | N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide | 組成式: | C12 H12 N2 O2 S | SMILES: | N(C(=O)C1CC1)c2sc3c(n2)ccc(OC)c3 | InChi: | InChI=1S/C12H12N2O2S/c1-16-8-4-5-9-10(6-8)17-12(13-9)14-11(15)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15) | 定義日: | 2020-06-03 | 最終更新日: | 2020-06-12 | 公開日: | 2020-06-17 | 識別子(ID): | N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide |
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![QDA QDA](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/QDA.svg) | QDA | 表記: | N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine | 組成式: | C15 H23 N5 O2 S | SMILES: | c2([N+]([O-])=O)c(NC1CCCC1)nc(nc2NC3CCCC3)SC | InChi: | InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19) | 定義日: | 2019-10-16 | 最終更新日: | 2020-06-05 | 公開日: | 2020-06-10 | 識別子(ID): | N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine |
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![U64 U64](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/U64.svg) | U64 | 表記: | 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile | 組成式: | C25 H23 F2 N5 O2 S | SMILES: | c4(cc(C1(C)C2C(SC(=N1)N)(C2)C(=O)N3CCOCC3)c(F)cc4)[C@H]=C(F)c5ccc(cn5)C#N | InChi: | InChI=1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1 | 定義日: | 2020-04-27 | 最終更新日: | 2020-05-29 | 公開日: | 2020-06-03 | 識別子(ID): | 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile |
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![RA7 RA7](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/RA7.svg) | RA7 | 表記: | [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol | 組成式: | C8 H12 N2 O2 S | SMILES: | C1CN(CCO1)c2sc(CO)cn2 | InChi: | InChI=1S/C8H12N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5,11H,1-4,6H2 | 定義日: | 2020-02-10 | 最終更新日: | 2020-05-29 | 公開日: | 2020-06-03 | 識別子(ID): | [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol |
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![RNM RNM](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/RNM.svg) | RNM | 表記: | (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine | 組成式: | C18 H26 N4 S2 | SMILES: | Nc2nc(SCC1CCCN(C)C1)nc4c2c3CCC(Cc3s4)C | InChi: | InChI=1S/C18H26N4S2/c1-11-5-6-13-14(8-11)24-17-15(13)16(19)20-18(21-17)23-10-12-4-3-7-22(2)9-12/h11-12H,3-10H2,1-2H3,(H2,19,20,21)/t11-,12-/m1/s1 | 定義日: | 2020-02-17 | 最終更新日: | 2020-05-29 | 公開日: | 2020-06-03 | 識別子(ID): | (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine |
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![SNL SNL](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/SNL.svg) | SNL | 表記: | SPIRONOLACTONE | 組成式: | C24 H32 O4 S | SMILES: | O=C5OC4(C3(C(C2C(SC(=O)C)CC1=CC(=O)CCC1(C)C2CC3)CC4)C)CC5 | InChi: | InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1 | 別名: | 17-HYDROXY-7ALPHA-MERCAPTO-3-OXO-17ALPHA-PREGN-4-ENE-21- CARBOXYLIC ACID | 定義日: | 2005-07-18 | 最終更新日: | 2020-05-27 | 識別子(ID): | S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate |
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