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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抗坏血酸CAS号: 50-81-7 EC号: 200-066-2, 200-066-2分子式: C6H8O6 分子量: 176.12IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-oneSMILES: OC([C@]([C@@H](O)CO)([H])O1)=C(O)C1=OInChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-NInChI: 1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
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硫化镁CAS号: 12032-36-9分子式: MgS 分子量: 56.37IUPAC Name: sulfanylidenemagnesiumSMILES: [Mg]=SInChIKey: SMDQFHZIWNYSMR-UHFFFAOYSA-NInChI: 1S/Mg.S
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褪黑素D4CAS号: 66521-38-8分子式: C13H12D4N2O2 分子量: 236.3IUPAC Name: N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideSMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OCInChIKey: DRLFMBDRBRZALE-NZLXMSDQSA-NInChI: 1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/i5D2,6D2
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氘代十四烷CAS号: 204244-81-5分子式: C14D30 分子量: 228.57IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-triacontadeuteriotetradecaneSMILES: CCCCCCCCCCCCCCInChIKey: BGHCVCJVXZWKCC-XMMAUIQQSA-NInChI: 1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2
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ML 179,肝受体同源物1(LRH1)反向激动剂CAS号: 1883548-87-5 Compound CID : 75089674分子式: C21H25F3N4O2 分子量: 422.44IUPAC Name: 3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-diazinane-2,4-dioneSMILES: C1CCC(CC1)N2C(=O)CC(NC2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)FInChIKey: KTWKLBPBUXCXRG-UHFFFAOYSA-NInChI: 1S/C21H27F3N4O2/c22-21(23,24)15-5-4-8-17(13-15)26-9-11-27(12-10-26)18-14-19(29)28(20(30)25-18)16-6-2-1-3-7-16/h4-5,8,13,16,18H,1-3,6-7,9-12,14H2,(H,25,30)
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