General Information of the Compound
| Compound ID |
CP0450430
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| Compound Name |
(2S)-2-[4-(2-ethylphenyl)phenoxy]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C23H22O3
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| Molecular Weight |
346.426
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| Canonical SMILES |
CCc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
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| InChI |
InChI=1S/C23H22O3/c1-2-18-10-6-7-11-21(18)19-12-14-20(15-13-19)26-22(23(24)25)16-17-8-4-3-5-9-17/h3-15,22H,2,16H2,1H3,(H,24,25)/t22-/m0/s1
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| InChIKey |
DDFSEWYRBITSSA-QFIPXVFZSA-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