General Information of the Compound
| Compound ID |
CP0462063
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| Compound Name |
2-methyl-2-[4-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C26H26O4
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| Molecular Weight |
402.49
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| Canonical SMILES |
CC(C)(Oc1ccc(CCOc2ccc(\C=C\c3ccccc3)cc2)cc1)C(O)=O
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| InChI |
InChI=1S/C26H26O4/c1-26(2,25(27)28)30-24-16-12-22(13-17-24)18-19-29-23-14-10-21(11-15-23)9-8-20-6-4-3-5-7-20/h3-17H,18-19H2,1-2H3,(H,27,28)/b9-8+
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| InChIKey |
CVNHNZXQBIXIMK-CMDGGOBGSA-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