General Information of the Compound
| Compound ID |
CP0488934
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| Compound Name |
(2S)-3-phenyl-2-[4-(2-phenylphenyl)phenoxy]propanoic acid
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| Structure |
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| Formula |
C27H22O3
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| Molecular Weight |
394.47
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C27H22O3/c28-27(29)26(19-20-9-3-1-4-10-20)30-23-17-15-22(16-18-23)25-14-8-7-13-24(25)21-11-5-2-6-12-21/h1-18,26H,19H2,(H,28,29)/t26-/m0/s1
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| InChIKey |
RXAISBOQWVAMKP-SANMLTNESA-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