General Information of the Compound
Compound ID
CP0483135
Compound Name
1-(4-fluorophenyl)-4-[(2R)-2-phenoxypropoxy]pyridin-2-one
    Show/Hide
Structure
Formula
C20H18FNO3
Molecular Weight
339.366
Canonical SMILES
C[C@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1
    Show/Hide
InChI
InChI=1S/C20H18FNO3/c1-15(25-18-5-3-2-4-6-18)14-24-19-11-12-22(20(23)13-19)17-9-7-16(21)8-10-17/h2-13,15H,14H2,1H3/t15-/m1/s1
    Show/Hide
InChIKey
AUMJXOXUSGIUCB-OAHLLOKOSA-N
Physicochemical Property
logP
3.8229
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
40.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 145958324
ChEMBL ID
CHEMBL4164660
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: PT03263, Metabotropic glutamate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS