General Information of the Compound
Compound ID
CP0235368
Compound Name
3-(4-Phenoxy-phenyl)-propionic acid
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Structure
Formula
C15H14O3
Molecular Weight
242.274
Canonical SMILES
OC(=O)CCc1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C15H14O3/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17)
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InChIKey
XNZKHFWFUASCFO-UHFFFAOYSA-N
Physicochemical Property
logP
3.4961
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 22036572
ChEMBL ID
CHEMBL423319
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3200 nM
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