General Information of the Compound
| Compound ID |
CP0450428
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| Compound Name |
(2S)-2-[4-(2-fluorophenyl)phenoxy]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C21H17FO3
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| Molecular Weight |
336.362
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1F
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| InChI |
InChI=1S/C21H17FO3/c22-19-9-5-4-8-18(19)16-10-12-17(13-11-16)25-20(21(23)24)14-15-6-2-1-3-7-15/h1-13,20H,14H2,(H,23,24)/t20-/m0/s1
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| InChIKey |
CDBJYYRBYINYBE-FQEVSTJZSA-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