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尼莫地平CAS号: 66085-59-4 EC号: 266-127-0分子式: C21H26N2O7 分子量: 418.44IUPAC Name: 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateSMILES: CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOCInChIKey: UIAGMCDKSXEBJQ-UHFFFAOYSA-NInChI: 1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3
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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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NS 398,COX-2抑制剂CAS号: 123653-11-2分子式: C13H18N2O5S 分子量: 314.36IUPAC Name: N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamideSMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2InChIKey: KTDZCOWXCWUPEO-UHFFFAOYSA-NInChI: 1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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7,4'-二羟基黄酮分子式: C15H10O4 分子量: 254.24IUPAC Name: 7-hydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)OInChIKey: LCAWNFIFMLXZPQ-UHFFFAOYSA-NInChI: 1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
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PSB-12062CAS号: 55476-47-6 Compound CID : 2320735分子式: C19H15NO3S 分子量: 337.39IUPAC Name: 10-(4-methylphenyl)sulfonylphenoxazineSMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3OC4=CC=CC=C42InChIKey: DHZNMEIBMACSFH-UHFFFAOYSA-NInChI: 1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3
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(+)-KetoconazoleCAS号: 142128-59-4 EC号: 265-667-4分子式: C26H28Cl2N4O4 分子量: 531.43IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanoneSMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)ClInChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-NInChI: 1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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