General Information of the Compound
| Compound ID |
CP0549559
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| Compound Name |
2-methyl-2-[4-[2-[4-phenyldiazenyl-2-(trifluoromethyl)phenoxy]ethyl]phenoxy]propanoic acid
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| Formula |
C25H23F3N2O4
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| Molecular Weight |
472.463
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| Canonical SMILES |
CC(C)(Oc1ccc(CCOc2ccc(cc2C(F)(F)F)\N=N/c2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C25H23F3N2O4/c1-24(2,23(31)32)34-20-11-8-17(9-12-20)14-15-33-22-13-10-19(16-21(22)25(26,27)28)30-29-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3,(H,31,32)/b30-29-
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| InChIKey |
HGIYWDYQSKIFAW-FLWNBWAVSA-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