General Information of the Compound
| Compound ID |
CP0449790
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| Compound Name |
2-[4-[[4,6-bis[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methoxy]-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C28H20F6N2O4
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| Molecular Weight |
562.466
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| Canonical SMILES |
Cc1cc(OCc2nc(cc(n2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
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| InChI |
InChI=1S/C28H20F6N2O4/c1-16-12-21(10-11-24(16)40-15-26(37)38)39-14-25-35-22(17-2-6-19(7-3-17)27(29,30)31)13-23(36-25)18-4-8-20(9-5-18)28(32,33)34/h2-13H,14-15H2,1H3,(H,37,38)
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| InChIKey |
REVAIOHTAHULEP-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