General Information of the Compound
| Compound ID |
CP0459171
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| Compound Name |
2-methyl-2-[4-[2-[4-[(E)-3-phenylprop-2-enoyl]phenoxy]ethyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C27H26O5
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| Molecular Weight |
430.5
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| Canonical SMILES |
CC(C)(Oc1ccc(CCOc2ccc(cc2)C(=O)\C=C\c2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C27H26O5/c1-27(2,26(29)30)32-24-13-8-21(9-14-24)18-19-31-23-15-11-22(12-16-23)25(28)17-10-20-6-4-3-5-7-20/h3-17H,18-19H2,1-2H3,(H,29,30)/b17-10+
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| InChIKey |
DYZWQRFFNWBPHH-LICLKQGHSA-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: PT00915, Peroxisome proliferator-activated receptor gamma