小分子和化合物库
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盐酸利达脒d3CAS号: 65009-35-0(unlabeled)分子式: C11H14D3ClN4O 分子量: 259.75SMILES: Cl.[2H]C([2H])([2H])NC(=N)NC(=O)Nc1c(C)cccc1C
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达沙替尼-d8CAS号: 1132093-70-9分子式: C22H18D8ClN7O2S 分子量: 496.05IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamideSMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCOInChIKey: ZBNZXTGUTAYRHI-COMRDEPKSA-NInChI: 1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)/i6D2,7D2,8D2,9D2
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犬尿酸-d5CAS号: 350820-13-2 EC号: 207-751-5分子式: C10H2D5NO3 分子量: 194.20IUPAC Name: 3,5,6,7,8-pentadeuterio-4-hydroxyquinoline-2-carboxylic acidSMILES: C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)OInChIKey: HCZHHEIFKROPDY-RALIUCGRSA-NInChI: 1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)/i1D,2D,3D,4D,5D
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甲氧苄啶-d9CAS号: 1189460-62-5分子式: C14H9D9N4O3 分子量: 299.37IUPAC Name: 5-[[3,4,5-tris(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamineSMILES: [2H]C([2H])([2H])Oc1cc(Cc2cnc(N)nc2N)cc(OC([2H])([2H])[2H])c1OC([2H])([2H])[2H]InChIKey: IEDVJHCEMCRBQM-GQALSZNTSA-NInChI: 1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)/i1D3,2D3,3D3
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