General Information of the Compound
| Compound ID |
CP0491178
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| Compound Name |
3-phenyl-2-[4-(phenylsulfanylmethyl)phenoxy]propanoic acid
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| Structure |
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| Formula |
C22H20O3S
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| Molecular Weight |
364.466
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| Canonical SMILES |
OC(=O)C(Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1
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| InChI |
InChI=1S/C22H20O3S/c23-22(24)21(15-17-7-3-1-4-8-17)25-19-13-11-18(12-14-19)16-26-20-9-5-2-6-10-20/h1-14,21H,15-16H2,(H,23,24)
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| InChIKey |
WROBXNIPOICBSO-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