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细胞色素P450
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戊唑醇分子式: C16H22ClN3O 分子量: 307.82IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-olSMILES: CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)OInChIKey: PXMNMQRDXWABCY-UHFFFAOYSA-NInChI: 1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
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2-氰基-3,3-二苯基丙烯酸-2-乙基己酯分子式: C24H27NO2 分子量: 361.48IUPAC Name: 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoateSMILES: CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#NInChIKey: FMJSMJQBSVNSBF-UHFFFAOYSA-NInChI: 1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
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联苯双酯CAS号: 73536-69-3分子式: C20H18O10 分子量: 418.4IUPAC Name: methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylateSMILES: COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2InChIKey: JMZOMFYRADAWOG-UHFFFAOYSA-NInChI: 1S/C20H18O10/c1-23-11-5-9(19(21)25-3)13(17-15(11)27-7-29-17)14-10(20(22)26-4)6-12(24-2)16-18(14)30-8-28-16/h5-6H,7-8H2,1-4H3
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1-乙炔基嵌二萘CAS号: 34993-56-1分子式: C18H10 分子量: 226.27IUPAC Name: 1-ethynylpyreneSMILES: C#CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1InChIKey: VEBUBSLYGRMOSZ-UHFFFAOYSA-NInChI: 1S/C18H10/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14/h1,3-11H
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1-乙炔萘CAS号: 15727-65-8分子式: C12H8 分子量: 152.19IUPAC Name: 1-ethynylnaphthaleneSMILES: C#CC1=CC=CC2=CC=CC=C21InChIKey: MCZUXEWWARACSP-UHFFFAOYSA-NInChI: 1S/C12H8/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h1,3-9H
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Erysolin,II期酶诱导剂CAS号: 504-84-7分子式: C6H11NO2S2 分子量: 193.29IUPAC Name: 1-isothiocyanato-4-methylsulfonylbutaneSMILES: CS(=O)(=O)CCCCN=C=SInChIKey: WNCZPWWLBZOFJL-UHFFFAOYSA-NInChI: 1S/C6H11NO2S2/c1-11(8,9)5-3-2-4-7-6-10/h2-5H2,1H3
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奥昔康唑CAS号: 64211-45-6分子式: C18H13Cl4N3O 分子量: 429.14IUPAC Name: (Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimineSMILES: C1=CC(=C(C=C1Cl)Cl)CON=C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)ClInChIKey: QRJJEGAJXVEBNE-HKOYGPOVSA-NInChI: 1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+
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丙硫菌唑CAS号: 178928-70-6 Compound CID : 6451142分子式: C14H15Cl2N3O 分子量: 344.26IUPAC Name: 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thioneSMILES: C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)ClInChIKey: MNHVNIJQQRJYDH-UHFFFAOYSA-NInChI: 1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)
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7-羟基-4-(三氟甲基)香豆素CAS号: 575-03-1分子式: C10H5F3O3 分子量: 230.14IUPAC Name: 7-hydroxy-4-(trifluoromethyl)chromen-2-oneSMILES: C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)FInChIKey: CCKWMCUOHJAVOL-UHFFFAOYSA-NInChI: 1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H
