小分子和化合物库
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尼群地平CAS号 : 39562-70-4 Compound CID : 4507分子式: C18H20N2O6 分子量: 360.36IUPAC Name: 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateSMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CInChIKey: PVHUJELLJLJGLN-UHFFFAOYSA-NInChI: InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
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克霉唑CAS号 : 23593-75-1(DMSO)分子式: C22H17ClN2 分子量: 344.84SMILES: ClC1=C(C=CC=C1)C([N]2C=CN=C2)(C3=CC=CC=C3)C4=CC=CC=C4
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尼群地平CAS号 : 39562-70-4(DMSO)分子式: C18H20N2O6 分子量: 360.3699SMILES: CCOC(=O)C1=C(C)NC(=C(C1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OC)C
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Methyl triphenylacetate分子式: C21H18O2 分子量: 302.4IUPAC Name: methyl 2,2,2-triphenylacetateSMILES: COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3InChIKey: ZPGOQUZHRVSLML-UHFFFAOYSA-NInChI: InChI=1S/C21H18O2/c1-23-20(22)21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
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NS309,钙依赖性钾离子通道 SK/IK 的激活剂CAS号 : 18711-16-5 Compound CID : 135502903分子式: C8H4Cl2N2O2 分子量: 231.04IUPAC Name: 6,7-dichloro-3-nitroso-1H-indol-2-olSMILES: C1=CC(=C(C2=C1C(=C(N2)O)N=O)Cl)ClInChIKey: ROBYKNONIPZMTK-UHFFFAOYSA-NInChI: InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,11,13H
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SKA-31,K Ca 3.1和K Ca 2通道激活剂CAS号 : 40172-65-4 Compound CID : 94880分子式: C11H8N2S 分子量: 200.26IUPAC Name: benzo[e][1,3]benzothiazol-2-amineSMILES: C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NInChIKey: FECQXVPRUCCUIL-UHFFFAOYSA-NInChI: InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)
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5-(4-苯氧基丁氧基)补骨脂素(PAP-1)CAS号 : 870653-45-5 Compound CID : 11302540分子式: C21H18O5 分子量: 350.36IUPAC Name: 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-oneSMILES: C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-NInChI: InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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Senicapoc,通道阻断剂CAS号 : 289656-45-7 Compound CID : 216327分子式: C20H15F2NO 分子量: 323.35IUPAC Name: 2,2-bis(4-fluorophenyl)-2-phenylacetamideSMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C(=O)NInChIKey: SCTZUZTYRMOMKT-UHFFFAOYSA-NInChI: InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
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TRAM-34,K Ca 3.1通道阻滞剂CAS号 : 289905-88-0 Compound CID : 656734分子式: C22H17ClN2 分子量: 344.84IUPAC Name: 1-[(2-chlorophenyl)-diphenylmethyl]pyrazoleSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CC=N4InChIKey: KBFUQFVFYYBHBT-UHFFFAOYSA-NInChI: InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H
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