General Information of the Compound
Compound ID
CP0480473
Compound Name
2-(2-fluorophenoxy)-3-phenylpropanoic acid
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Structure
Formula
C15H13FO3
Molecular Weight
260.264
Canonical SMILES
OC(=O)C(Cc1ccccc1)Oc1ccccc1F
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InChI
InChI=1S/C15H13FO3/c16-12-8-4-5-9-13(12)19-14(15(17)18)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18)
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InChIKey
YKKMWJPRJQDGFX-UHFFFAOYSA-N
Physicochemical Property
logP
2.9004
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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).

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PubChem ID
CID: 57395750
ChEMBL ID
CHEMBL1956359
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 22300 nM
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   LI
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   TS
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 19000 nM
   TI
   LI
   LO
   TS