General Information of the Compound
| Compound ID |
CP0409327
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| Compound Name |
2-methyl-2-[4-({[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]formamido}methyl)phenoxy]propanoic acid
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| Structure |
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| Formula |
C23H18F6N2O4S
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| Molecular Weight |
532.462
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| Canonical SMILES |
CC(C)(Oc1ccc(CNC(=O)c2sc(nc2C(F)(F)F)-c2ccc(cc2)C(F)(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C23H18F6N2O4S/c1-21(2,20(33)34)35-15-9-3-12(4-10-15)11-30-18(32)16-17(23(27,28)29)31-19(36-16)13-5-7-14(8-6-13)22(24,25)26/h3-10H,11H2,1-2H3,(H,30,32)(H,33,34)
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| InChIKey |
HCSJCPSQGSDDFT-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