General Information of the Compound
| Compound ID |
CP0381639
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| Compound Name |
(+/-)-2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid
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| Structure |
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| Formula |
C21H17ClO4
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| Molecular Weight |
368.816
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| Canonical SMILES |
OC(=O)C(Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H17ClO4/c22-16-9-11-18(12-10-16)26-20(21(23)24)14-15-5-4-8-19(13-15)25-17-6-2-1-3-7-17/h1-13,20H,14H2,(H,23,24)
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| InChIKey |
DKBQUFWMBYWUDK-UHFFFAOYSA-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