General Information of the Compound
| Compound ID |
CP0374830
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| Compound Name |
2-[2-methyl-4-[[3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C35H27F3O4
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| Molecular Weight |
568.591
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| Canonical SMILES |
Cc1cc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)-c2ccccc2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C35H27F3O4/c1-23-17-32(15-16-33(23)42-22-34(39)40)41-21-24-18-29(27-9-7-26(8-10-27)25-5-3-2-4-6-25)20-30(19-24)28-11-13-31(14-12-28)35(36,37)38/h2-20H,21-22H2,1H3,(H,39,40)
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| InChIKey |
MHMXWVONZFTAFR-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