小分子和化合物库
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天然辣椒碱分子式: C18H27NO3 分子量: 305.41IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamideSMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OCInChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-NInChI: 1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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潮霉素BCAS号: 31282-04-9分子式: C20H37N3O13 分子量: 527.52IUPAC Name: See moreSMILES: CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)NInChIKey: GRRNUXAQVGOGFE-XKIAHZFYSA-NInChI: See more
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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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