General Information of the Compound
| Compound ID |
CP0244640
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| Compound Name |
2-[4-[[4-(6-methoxypyridin-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C26H21F3N2O6S
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| Molecular Weight |
546.523
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| Canonical SMILES |
COc1ccc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C26H21F3N2O6S/c1-15-11-19(8-9-20(15)36-14-23(32)33)35-13-22-31-24(17-5-10-21(34-2)30-12-17)25(38-22)16-3-6-18(7-4-16)37-26(27,28)29/h3-12H,13-14H2,1-2H3,(H,32,33)
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| InChIKey |
XNAWXFHJMUGSMC-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