General Information of the Compound
| Compound ID |
CP0410206
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| Compound Name |
2-[4-[2-(4-methoxyphenyl)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]sulfanyl-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C29H26F3NO4S2
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| Molecular Weight |
573.658
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| Canonical SMILES |
COc1ccc(CC(Sc2ccc(OCC(O)=O)c(C)c2)c2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C29H26F3NO4S2/c1-17-14-23(12-13-24(17)37-16-26(34)35)38-25(15-19-4-10-22(36-3)11-5-19)27-18(2)33-28(39-27)20-6-8-21(9-7-20)29(30,31)32/h4-14,25H,15-16H2,1-3H3,(H,34,35)
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| InChIKey |
MTOXHLXMIDXIFJ-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