General Information of the Compound
| Compound ID |
CP0397010
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| Compound Name |
(S)-2-(4-chlorophenoxy)-3-(4-(trifluoromethyl)phenyl)propanoic acid
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| Structure |
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| Formula |
C16H12ClF3O3
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| Molecular Weight |
344.716
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(cc1)C(F)(F)F)Oc1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H12ClF3O3/c17-12-5-7-13(8-6-12)23-14(15(21)22)9-10-1-3-11(4-2-10)16(18,19)20/h1-8,14H,9H2,(H,21,22)/t14-/m0/s1
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| InChIKey |
GKKPZUKGEAWMMS-AWEZNQCLSA-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