小分子和化合物库
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Sipatrigine,NaV通道阻断剂CAS号 : 130800-90-7 Compound CID : 60803分子式: C15H16Cl3N5 分子量: 372.68IUPAC Name: 2-(4-methylpiperazin-1-yl)-5-(2,3,5-trichlorophenyl)pyrimidin-4-amineSMILES: CN1CCN(CC1)C2=NC=C(C(=N2)N)C3=C(C(=CC(=C3)Cl)Cl)ClInChIKey: PDOCBJADCWMDGL-UHFFFAOYSA-NInChI: InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)
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ICA 121431,NaV1.3和NaV1.1通道阻滞剂CAS号 : 313254-51-2 Compound CID : 998021分子式: C23H19N3O3S2 分子量: 449.55IUPAC Name: 2,2-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamideSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4InChIKey: URSQNPPONHUJDL-UHFFFAOYSA-NInChI: InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27)
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GX 201, Nav1.7阻断剂CAS号 : 1788071-27-1 Compound CID : 118120545分子式: C25H27ClF4N2O4S 分子量: 563IUPAC Name: 4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamideSMILES: CS(=O)(=O)NC(=O)C1=C(C=C(C(=C1)C2CC2)OCC3CCN(CC3)CC4=C(C=CC(=C4)C(F)(F)F)Cl)FInChIKey: KYBPOTYVFWNSGS-UHFFFAOYSA-NInChI: InChI=1S/C25H27ClF4N2O4S/c1-37(34,35)31-24(33)20-11-19(16-2-3-16)23(12-22(20)27)36-14-15-6-8-32(9-7-15)13-17-10-18(25(28,29)30)4-5-21(17)26/h4-5,10-12,15-16H,2-3,6-9,13-14H2,1H3,(H,31,33)
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A-803467CAS号 : 944261-79-4(DMSO)分子式: C19H16ClNO4 分子量: 357.79SMILES: COC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(Cl)C=C3)OC
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AlprostadilCAS号 : 745-65-3(DMSO)分子式: C20H34O5 分子量: 354.48SMILES: CCCCCC(O)/C=C/C1C(O)CC(=O)C1CCCCCCC(O)=O
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苯妥英CAS号 : 57-41-0(DMSO)分子式: C15H12N2O2 分子量: 252.27SMILES: O=C1NC(=O)C(N1)(C2=CC=CC=C2)C3=CC=CC=C3
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阿米替林分子式: C20H23N 分子量: 277.41IUPAC Name: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amineSMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31InChIKey: KRMDCWKBEZIMAB-UHFFFAOYSA-NInChI: InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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GS967CAS号 : 1262618-39-2 Compound CID : 58118983分子式: C14H7F6N3O 分子量: 347.22IUPAC Name: 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridineSMILES: C1=CC(=CC=C1C2=CN3C(=NN=C3C(F)(F)F)C=C2)OC(F)(F)FInChIKey: FEVBKJITJDHASC-UHFFFAOYSA-NInChI: InChI=1S/C14H7F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-7H
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A-803467,Na V 1.8通道阻滞剂CAS号 : 944261-79-4 Compound CID : 16038374分子式: C19H16ClNO4 分子量: 357.79IUPAC Name: 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamideSMILES: COC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)OCInChIKey: VHKBTPQDHDSBSP-UHFFFAOYSA-NInChI: InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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