General Information of the Compound
| Compound ID |
CP0035141
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| Compound Name |
3-(2-methyl-4-(3-((2-methyl-4-(trifluoromethyl)benzamido)methyl)phenoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C26H24F3NO4
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| Molecular Weight |
471.475
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| Canonical SMILES |
Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3C)C(F)(F)F)c2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C26H24F3NO4/c1-16-13-22(9-6-19(16)7-11-24(31)32)34-21-5-3-4-18(14-21)15-30-25(33)23-10-8-20(12-17(23)2)26(27,28)29/h3-6,8-10,12-14H,7,11,15H2,1-2H3,(H,30,33)(H,31,32)
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| InChIKey |
SWUZQDVMRRMTCS-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