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细胞色素P450
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皂黄分子式: C18H14N3NaO3S 分子量: 375.38IUPAC Name: sodium;3-[(4-anilinophenyl)diazenyl]benzenesulfonateSMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]InChIKey: NYGZLYXAPMMJTE-UHFFFAOYSA-MInChI: 1S/C18H15N3O3S.Na/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1
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橄榄苦苷CAS号: 32619-42-4 EC号: 251-129-6分子式: C25H32O13 分子量: 540.51IUPAC Name: methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylateSMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)OInChIKey: RFWGABANNQMHMZ-ZCHJGGQASA-NInChI: See more
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盐酸雷尼替丁CAS号: 66357-59-3分子式: C13H22N4O3S·HCl 分子量: 350.86IUPAC Name: (E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydrochlorideSMILES: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.ClInChIKey: GGWBHVILAJZWKJ-KJEVSKRMSA-NInChI: 1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;
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盐酸氯丙嗪(CPZ)分子式: C17H19ClN2S·HCl 分子量: 355.33IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochlorideSMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.ClInChIKey: FBSMERQALIEGJT-UHFFFAOYSA-NInChI: 1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
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吴茱萸内酯CAS号: 1180-71-8分子式: C26H30O8 分子量: 470.51IUPAC Name: (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trioneSMILES: CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)CInChIKey: KBDSLGBFQAGHBE-MSGMIQHVSA-NInChI: See more
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盐酸法倔唑CAS号: 102676-31-3分子式: C14H13N3·HCl 分子量: 259.73IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrochlorideSMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.ClInChIKey: UKCVAQGKEOJTSR-UHFFFAOYSA-NInChI: 1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H
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伊曲康唑CAS号: 84625-61-6分子式: C35H38Cl2N8O4 分子量: 705.63IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-oneSMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)ClInChIKey: VHVPQPYKVGDNFY-UHFFFAOYSA-NInChI: See more
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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
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2,3',4,5'-四甲氧基二苯乙烯CAS号: 24144-92-1 Compound CID : 5354004分子式: C18H20O4 分子量: 300.35IUPAC Name: 1-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzeneSMILES: COC1=CC(=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OCInChIKey: JDBCWSHYEQUBLW-AATRIKPKSA-NInChI: 1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+
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