General Information of the Compound
| Compound ID |
CP0459078
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| Compound Name |
2-(4-((4-(4-(Methylsulfonamide)phenyl)-5-(4-(trifluoromethoxy)-phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C27H23F3N2O7S2
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| Molecular Weight |
608.616
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| Canonical SMILES |
Cc1cc(OCc2nc(c(s2)-c2ccc(OC(F)(F)F)cc2)-c2ccc(NS(C)(=O)=O)cc2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C27H23F3N2O7S2/c1-16-13-21(11-12-22(16)38-15-24(33)34)37-14-23-31-25(17-3-7-19(8-4-17)32-41(2,35)36)26(40-23)18-5-9-20(10-6-18)39-27(28,29)30/h3-13,32H,14-15H2,1-2H3,(H,33,34)
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| InChIKey |
LSOYEODGFKHQEV-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