General Information of the Compound
Compound ID
CP0506588
Compound Name
3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]pyridin-3-yl]-2-fluoropropanoic acid
    Show/Hide
Structure
Formula
C23H22FNO3
Molecular Weight
379.431
Canonical SMILES
Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(O)=O)cn2)c1
    Show/Hide
InChI
InChI=1S/C23H22FNO3/c1-15-5-3-6-16(2)22(15)19-8-4-7-18(11-19)14-28-21-10-9-17(13-25-21)12-20(24)23(26)27/h3-11,13,20H,12,14H2,1-2H3,(H,26,27)
    Show/Hide
InChIKey
IFDASFUXVDHKSQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.90964
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
59.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 90644296
ChEMBL ID
CHEMBL3288354
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 = 8.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT02522, 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 = 250 nM
   TI
   LI
   LO
   TS