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小分子和化合物库
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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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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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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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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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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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[1-13C]-α-D-吡喃半乳糖磷酸二钾盐CAS号: 478518-78-4 Compound CID : 90472755分子式: (13-C)C5H11O9PK2 分子量: 337.31IUPAC Name: dipotassium;[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(213C)oxan-2-yl] phosphateSMILES: C(C1C(C(C(C(O1)OP(=O)([O-])[O-])O)O)O)O.[K+].[K+]InChIKey: KCIDZIIHRGYJAE-HLZBLTOGSA-LInChI: 1S/C6H13O9P.2K/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/t2-,3+,4+,5-,6-;;/m1../s1/i6+1;;
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![[1-13C]-α-D-吡喃半乳糖磷酸二钾盐](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/A/3/A354212.png)
