General Information of the Compound
| Compound ID |
CP0461586
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| Compound Name |
2-methyl-2-[4-(2-{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethyl)phenoxy]propanoic acid
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| Structure |
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| Formula |
C23H22F3NO3S
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| Molecular Weight |
449.494
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| Canonical SMILES |
Cc1nc(sc1CCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3NO3S/c1-14-19(31-20(27-14)16-7-9-17(10-8-16)23(24,25)26)13-6-15-4-11-18(12-5-15)30-22(2,3)21(28)29/h4-5,7-12H,6,13H2,1-3H3,(H,28,29)
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| InChIKey |
QRZPWWLJHFQSNO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma