General Information of the Compound
| Compound ID |
CP0373747
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| Compound Name |
2-(4-((4-(2-Methoxypyrimidin-5-yl)-5-(4-(trifluoromethoxy)-phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C25H20F3N3O6S
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| Molecular Weight |
547.511
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| Canonical SMILES |
COc1ncc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C25H20F3N3O6S/c1-14-9-18(7-8-19(14)36-13-21(32)33)35-12-20-31-22(16-10-29-24(34-2)30-11-16)23(38-20)15-3-5-17(6-4-15)37-25(26,27)28/h3-11H,12-13H2,1-2H3,(H,32,33)
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| InChIKey |
WOXORSHWFYBOOY-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