小分子和化合物库
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硫酸奎宁荧光标准物质分子式: C40H48N4O4.H2SO4.2H2O 分子量: 782.95IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrateSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)OInChIKey: ZHNFLHYOFXQIOW-LPYZJUEESA-NInChI: See more
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甲磺酸倍他司汀CAS号: 54856-23-4分子式: C8H12N2·2CH4O3S 分子量: 328.4IUPAC Name: methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamineSMILES: CNCCC1=CC=CC=N1.CS(=O)(=O)O.CS(=O)(=O)OInChIKey: ZBJJDYGJCNTNTH-UHFFFAOYSA-NInChI: 1S/C8H12N2.2CH4O3S/c1-9-7-5-8-4-2-3-6-10-8;2*1-5(2,3)4/h2-4,6,9H,5,7H2,1H3;2*1H3,(H,2,3,4)
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(2,4-戊二酮酸-kO,kO')双[2-(1-苯基-1H-苯并咪唑-2-基-kN3)苯基-kC]铱CAS号: 725251-25-2 Compound CID : 725251分子式: C43H33IrN4O2 分子量: 829.96IUPAC Name: 4-bromo-N-[(3-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamideSMILES: CN1C=C(C(=N1)C(=O)NN=CC2=CC(=CC=C2)O)BrInChIKey: BMYFZHOREUBRQT-UHFFFAOYSA-NInChI: 1S/C12H11BrN4O2/c1-17-7-10(13)11(16-17)12(19)15-14-6-8-3-2-4-9(18)5-8/h2-7,18H,1H3,(H,15,19)
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39 22-二氟-2-(2-(三氟甲基)苯基)乙酸CAS号: 1343107-31-2分子式: C9H5F5O2 分子量: 240.13IUPAC Name: 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acidSMILES: C1=CC=C(C(=C1)C(C(=O)O)(F)F)C(F)(F)FInChIKey: XXGYJZCVWVRSGB-UHFFFAOYSA-NInChI: 1S/C9H5F5O2/c10-8(11,7(15)16)5-3-1-2-4-6(5)9(12,13)14/h1-4H,(H,15,16)
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3-(三烯丙基硅烷基)甲基丙烯酸丙酯CAS号: 1990509-31-3 Compound CID : 125401955分子式: C16H26O2Si 分子量: 278.47IUPAC Name: 3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoateSMILES: CC(=C)C(=O)OCCC[Si](CC=C)(CC=C)CC=CInChIKey: DZQKPAZSDBDDET-UHFFFAOYSA-NInChI: 1S/C16H26O2Si/c1-6-11-19(12-7-2,13-8-3)14-9-10-18-16(17)15(4)5/h6-8H,1-4,9-14H2,5H3
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2,4,5,6-四(9-咔唑基)-间苯二腈CAS号: 1416881-52-1 Compound CID : 102198498分子式: C56H32N6 分子量: 788.89IUPAC Name: 2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrileSMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4C#N)N5C6=CC=CC=C6C7=CC=CC=C75)N8C9=CC=CC=C9C1=CC=CC=C18)N1C2=CC=CC=C2C2=CC=CC=C21)C#NInChIKey: PRWATGACIORDEL-UHFFFAOYSA-NInChI: See more
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48 反式-2-(2-氟-5-硝基苯基)环丙烷-1-羧酸CAS号: 2227755-27-1 Compound CID : 155905960分子式: C10H8FNO4 分子量: 225.18IUPAC Name: (1R,2R)-2-(2-fluoro-5-nitrophenyl)cyclopropane-1-carboxylic acidSMILES: C1C(C1C(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])FInChIKey: FSRBAVSPEDPDMK-POYBYMJQSA-NInChI: 1S/C10H8FNO4/c11-9-2-1-5(12(15)16)3-7(9)6-4-8(6)10(13)14/h1-3,6,8H,4H2,(H,13,14)/t6-,8+/m0/s1
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普伐他汀内酯CAS号: 85956-22-5 Compound CID : 9931182分子式: C23H34O6 分子量: 406.51IUPAC Name: [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoateSMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)OInChIKey: OQARDMYXSOFTLN-PZAWKZKUSA-NInChI: 1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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Tryprostatin A,抑制剂CAS号: 171864-80-5 Compound CID : 9929833分子式: C22H27N3O3 分子量: 381.47IUPAC Name: (3S,8aS)-3-[[6-methoxy-2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dioneSMILES: CC(=CCC1=C(C2=C(N1)C=C(C=C2)OC)CC3C(=O)N4CCCC4C(=O)N3)CInChIKey: XNRPVPHNDQHWLJ-PMACEKPBSA-NInChI: 1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1
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Zoniporide二盐酸盐CAS号: 241799-10-0 Compound CID : 22267855分子式: C17H16N6O.2HCl 分子量: 393.27IUPAC Name: 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;dihydrochlorideSMILES: C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.Cl.ClInChIKey: ARZNPJAGKWHEHT-UHFFFAOYSA-NInChI: 1S/C17H16N6O.2ClH/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;;/h1-5,8-10H,6-7H2,(H4,18,19,22,24);2*1H
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