小分子和化合物库
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GW 590735,PPARα激动剂CAS号 : 622402-22-6 Compound CID : 9956726分子式: C23H21F3N2O4S 分子量: 478.48IUPAC Name: 2-methyl-2-[4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acidSMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)OC(C)(C)C(=O)OInChIKey: ILUPZUOBHCUBKB-UHFFFAOYSA-NInChI: InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)
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GW6471CAS号 : 880635-03-0 Compound CID : 446738分子式: C35H36F3N3O4 分子量: 619.67IUPAC Name: N-[(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-en-2-yl]amino]propyl]propanamideSMILES: CCC(=O)NCC(CC1=CC=C(C=C1)OCCC2=C(OC(=N2)C3=CC=CC=C3)C)NC(=CC(=O)C4=CC=C(C=C4)C(F)(F)F)CInChIKey: TYEFSRMOUXWTDN-DYQICHDWSA-NInChI: InChI=1S/C35H36F3N3O4/c1-4-33(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)44-19-18-31-24(3)45-34(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)/b23-20-/t29-/m0/s1
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MuraglitazarCAS号 : 331741-94-7 Compound CID : 206044分子式: C29H28N2O7 分子量: 516.5IUPAC Name: 2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acidSMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CN(CC(=O)O)C(=O)OC4=CC=C(C=C4)OCInChIKey: IRLWJILLXJGJTD-UHFFFAOYSA-NInChI: InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)
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ElafibranorCAS号 : 923978-27-2(DMSO)分子式: C22H24O4S 分子量: 384.49SMILES: CSC1=CC=C(C=C1)C(=O)\C=C\C2=CC(=C(OC(C)(C)C(O)=O)C(=C2)C)C
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[4-氯-6-(2,3-茬胺基)-2-嘧啶硫代]乙酸CAS号 : 50892-23-4(DMSO)分子式: C14H14ClN3O2S 分子量: 323.8SMILES: CC1=C(C)C(=CC=C1)NC2=NC(=NC(=C2)Cl)SCC(O)=O
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环丙贝特CAS号 : 52214-84-3(DMSO)分子式: C13H14Cl2O3 分子量: 289.15SMILES: CC(C)(OC1=CC=C(C=C1)C2CC2(Cl)Cl)C(O)=O
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罗格列酮CAS号 : 122320-73-4(DMSO)分子式: C18H19N3O3S 分子量: 357.43SMILES: CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C3=CC=CC=N3
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非诺贝特CAS号 : 49562-28-9(DMSO)分子式: C20H21ClO4 分子量: 360.83SMILES: CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(Cl)C=C2
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BMS-687453CAS号 : 1000998-59-3 Compound CID : 16725047分子式: C22H21ClN2O6 分子量: 444.86IUPAC Name: 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acidSMILES: CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)COC3=CC=CC(=C3)CN(CC(=O)O)C(=O)OCInChIKey: UJIBXDMNCMEJAY-UHFFFAOYSA-NInChI: InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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BMS-687453CAS号 : 1000998-59-3 Compound CID : 16725047分子式: C22H21ClN2O6 分子量: 444.86IUPAC Name: 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acidSMILES: CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)COC3=CC=CC(=C3)CN(CC(=O)O)C(=O)OCInChIKey: UJIBXDMNCMEJAY-UHFFFAOYSA-NInChI: InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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