General Information of the Compound
| Compound ID |
CP0403618
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| Compound Name |
(2S)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanoic acid
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| Structure |
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| Formula |
C16H13F3O3
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| Molecular Weight |
310.271
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)Oc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C16H13F3O3/c17-16(18,19)12-7-4-8-13(10-12)22-14(15(20)21)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2,(H,20,21)/t14-/m0/s1
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| InChIKey |
NNGOCJYFFSOKRY-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