General Information of the Compound
| Compound ID |
CP0476895
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| Compound Name |
2-methyl-2-[4-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C27H28O4
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| Molecular Weight |
416.517
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| Canonical SMILES |
CC(C)(Oc1ccc(CCCOc2ccc(\C=C\c3ccccc3)cc2)cc1)C(O)=O
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| InChI |
InChI=1S/C27H28O4/c1-27(2,26(28)29)31-25-18-14-22(15-19-25)9-6-20-30-24-16-12-23(13-17-24)11-10-21-7-4-3-5-8-21/h3-5,7-8,10-19H,6,9,20H2,1-2H3,(H,28,29)/b11-10+
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| InChIKey |
KAVOGEVLUYEMMM-ZHACJKMWSA-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