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米尔塔扎平CAS号: 85650-52-8分子式: C17H19N3 分子量: 265.35IUPAC Name: 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaeneSMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-NInChI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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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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托吡卡胺分子式: C17H20N2O2 分子量: 284.35IUPAC Name: N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamideSMILES: CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2InChIKey: BGDKAVGWHJFAGW-UHFFFAOYSA-NInChI: 1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
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苯溴马隆分子式: C17H12Br2O3 分子量: 424.08IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanoneSMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)BrInChIKey: WHQCHUCQKNIQEC-UHFFFAOYSA-NInChI: 1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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OR-486,COMT抑制剂CAS号: 7659-29-2分子式: C6H4N2O6 分子量: 200.11IUPAC Name: 3,5-dinitrobenzene-1,2-diolSMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-]InChIKey: VDCDWNDTNSWDFJ-UHFFFAOYSA-NInChI: 1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
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ROCK inhibitor-2CAS号: 1127308-52-4 Compound CID : 51003130分子式: C21H20N2O2 分子量: 332.40IUPAC Name: N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamideSMILES: CC(C1=CC(=CC=C1)OC)NC(=O)C2=CC=C(C=C2)C3=CC=NC=C3InChIKey: JRVSFZKYQCETAH-OAHLLOKOSA-NInChI: 1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1
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