General Information of the Compound
| Compound ID |
CP0418951
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| Compound Name |
(2S)-2-[4-(2-methylphenyl)phenoxy]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C22H20O3
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| Molecular Weight |
332.399
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| Canonical SMILES |
Cc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
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| InChI |
InChI=1S/C22H20O3/c1-16-7-5-6-10-20(16)18-11-13-19(14-12-18)25-21(22(23)24)15-17-8-3-2-4-9-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
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| InChIKey |
FTYUGIQCLGYMCI-NRFANRHFSA-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