General Information of the Compound
Compound ID
CP0478656
Compound Name
2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid
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Structure
Formula
C17H16FNO5
Molecular Weight
333.315
Canonical SMILES
CC(Oc1ccccc1)C(=O)Nc1ccc(OCC(O)=O)c(F)c1
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InChI
InChI=1S/C17H16FNO5/c1-11(24-13-5-3-2-4-6-13)17(22)19-12-7-8-15(14(18)9-12)23-10-16(20)21/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)
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InChIKey
BOUKLDZOFOGRSX-UHFFFAOYSA-N
Physicochemical Property
logP
2.6951
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
84.86
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 122189672
ChEMBL ID
CHEMBL3616652
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 = 135.3 nM
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