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酶抑制剂和酶底物
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杨梅素分子式: C15H10O8 分子量: 318.24IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-oneSMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-NInChI: 1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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4-(二甲氨基)-N-[7-(羟基氨基)-7-氧庚]苯甲酰胺CAS号: 251456-60-7分子式: C16H25N3O3 分子量: 307.39IUPAC Name: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamideSMILES: CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NOInChIKey: MXWDSZWTBOCWBK-UHFFFAOYSA-NInChI: 1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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(±)-柚皮素CAS号: 67604-48-2 EC号: 266-769-1分子式: C15H12O5 分子量: 272.26IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OInChIKey: FTVWIRXFELQLPI-UHFFFAOYSA-NInChI: 1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
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N-(对甲苯磺酰基)-L-苯丙氨酰甲基氯酮(TPCK)分子式: C17H18ClNO3S 分子量: 351.85IUPAC Name: N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamideSMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)CClInChIKey: MQUQNUAYKLCRME-INIZCTEOSA-NInChI: 1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1
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盐酸苄达明分子式: C19H23N3O·HCl 分子量: 345.87IUPAC Name: 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochlorideSMILES: CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.ClInChIKey: HNNIWKQLJSNAEQ-UHFFFAOYSA-NInChI: 1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H
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2-氯-4-(三氟甲基)苯甲腈CAS号: 1813-33-8分子式: ClC6H3(CF3)CN 分子量: 205.56IUPAC Name: 2-chloro-4-(trifluoromethyl)benzonitrileSMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)C#NInChIKey: GEHMLBFNZKJDQM-UHFFFAOYSA-NInChI: 1S/C8H3ClF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
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2-(2,6-二氯苯胺基)苯乙酸甲酯CAS号: 15307-78-5分子式: C15H13Cl2NO2 分子量: 310.17IUPAC Name: methyl 2-[2-(2,6-dichloroanilino)phenyl]acetateSMILES: COC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)ClInChIKey: VETACGBDFVVKGZ-UHFFFAOYSA-NInChI: 1S/C15H13Cl2NO2/c1-20-14(19)9-10-5-2-3-8-13(10)18-15-11(16)6-4-7-12(15)17/h2-8,18H,9H2,1H3
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(±)-2-(6-甲氧基-2-萘基)丙酸CAS号: 23981-80-8分子式: C14H14O3 分子量: 230.26IUPAC Name: 2-(6-methoxynaphthalen-2-yl)propanoic acidSMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OInChIKey: CMWTZPSULFXXJA-UHFFFAOYSA-NInChI: 1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
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塞曲司特CAS号: 112665-43-7 Compound CID : 2449分子式: C22H26O4 分子量: 354.45IUPAC Name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acidSMILES: CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)CInChIKey: ZBVKEHDGYSLCCC-UHFFFAOYSA-NInChI: 1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)
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(R)-(-)-咯利普兰CAS号: 85416-75-7 Compound CID : 448055分子式: C16H21NO3 分子量: 275.35IUPAC Name: (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-oneSMILES: COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3InChIKey: HJORMJIFDVBMOB-LBPRGKRZSA-NInChI: 1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1
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噻洛芬酸CAS号: 33005-95-7 Compound CID : 5468分子式: C14H12O3S 分子量: 260.31IUPAC Name: 2-(5-benzoylthiophen-2-yl)propanoic acidSMILES: CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)OInChIKey: GUHPRPJDBZHYCJ-UHFFFAOYSA-NInChI: 1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
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乌苯美司CAS号: 58970-76-6 EC号: 261-529-2分子式: C16H24N2O4 分子量: 308.37IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acidSMILES: CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)OInChIKey: VGGGPCQERPFHOB-RDBSUJKOSA-NInChI: 1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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