小分子和化合物库
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厄贝沙坦-d7CAS号: 1329496-43-6分子式: C25H21D7N6O 分子量: 435.57IUPAC Name: 2-(2,2,3,3,4,4,4-heptadeuteriobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-oneSMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5InChIKey: YOSHYTLCDANDAN-NCKGIQLSSA-NInChI: 1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)/i1D3,2D2,3D2
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5-氯-1-(4-哌啶基)-2-苯并咪唑酮CAS号: 53786-28-0分子式: C12H14ClN3O 分子量: 251.71IUPAC Name: 6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-oneSMILES: C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=OInChIKey: DOAYWDKFDPSTSV-UHFFFAOYSA-NInChI: 1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)
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7-(二乙氨基)香豆素-3-甲酸乙酯CAS号: 28705-46-6分子式: C16H19NO4 分子量: 289.33IUPAC Name: ethyl 7-(diethylamino)-2-oxochromene-3-carboxylateSMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCCInChIKey: MSOLGAJLRIINNF-UHFFFAOYSA-NInChI: 1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
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4-氨基苯甲酸异丁酯CAS号: 94-14-4分子式: C11H15NO2 分子量: 193.25IUPAC Name: 2-methylpropyl 4-aminobenzoateSMILES: CC(C)COC(=O)C1=CC=C(C=C1)NInChIKey: PUYOAVGNCWPANW-UHFFFAOYSA-NInChI: 1S/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3
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3-巯基异丁酸CAS号: 26473-47-2分子式: C4H8O2S 分子量: 120.17IUPAC Name: 2-methyl-3-sulfanylpropanoic acidSMILES: CC(CS)C(=O)OInChIKey: MHRDCHHESNJQIS-UHFFFAOYSA-NInChI: 1S/C4H8O2S/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H,5,6)
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