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酶抑制剂和酶底物
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辛伐他汀CAS号: 79902-63-9 Compound CID : 54454分子式: C25H38O5 分子量: 418.57IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoateSMILES: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CInChIKey: RYMZZMVNJRMUDD-HGQWONQESA-NInChI: 1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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黄腐酚分子式: C21H22O5 分子量: 354.4IUPAC Name: (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-oneSMILES: CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)CInChIKey: ORXQGKIUCDPEAJ-YRNVUSSQSA-NInChI: 1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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洛索洛芬CAS号: 68767-14-6 EC号: 807-110-5分子式: C15H18O3 分子量: 246.31IUPAC Name: 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acidSMILES: CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)OInChIKey: YMBXTVYHTMGZDW-UHFFFAOYSA-NInChI: 1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
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奥利司他CAS号: 96829-58-2分子式: C29H53NO5 分子量: 495.75IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoateSMILES: CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=OInChIKey: AHLBNYSZXLDEJQ-FWEHEUNISA-NInChI: 1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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AM 114,20S蛋白酶体抑制剂CAS号: 856849-35-9分子式: C20H21B2NO5 分子量: 377.01IUPAC Name: [4-[(E)-[(5E)-5-[(4-boronophenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]phenyl]boronic acidSMILES: B(C1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)B(O)O)C2=O)C)(O)OInChIKey: SRPIKXGUPAKTIZ-OTYYAQKOSA-NInChI: 1S/C20H21B2NO5/c1-23-12-16(10-14-2-6-18(7-3-14)21(25)26)20(24)17(13-23)11-15-4-8-19(9-5-15)22(27)28/h2-11,25-28H,12-13H2,1H3/b16-10+,17-11+
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Adaptaquin,HIF-脯氨酰羟化酶2(PHD2)抑制剂CAS号: 385786-48-1分子式: C21H16ClN3O2 分子量: 377.82IUPAC Name: 7-[(4-chlorophenyl)-[(3-hydroxypyridin-2-yl)amino]methyl]quinolin-8-olSMILES: C1=CC2=C(C(=C(C=C2)C(C3=CC=C(C=C3)Cl)NC4=C(C=CC=N4)O)O)N=C1InChIKey: KKYHNYRUBSYTCZ-UHFFFAOYSA-NInChI: 1S/C21H16ClN3O2/c22-15-8-5-14(6-9-15)18(25-21-17(26)4-2-12-24-21)16-10-7-13-3-1-11-23-19(13)20(16)27/h1-12,18,26-27H,(H,24,25)
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