General Information of the Compound
Compound ID
CP0561867
Compound Name
1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one
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Structure
Formula
C21H20FNO3
Molecular Weight
353.393
Canonical SMILES
CC(COc1ccccc1)COc1ccn(-c2ccc(F)cc2)c(=O)c1
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InChI
InChI=1S/C21H20FNO3/c1-16(14-25-19-5-3-2-4-6-19)15-26-20-11-12-23(21(24)13-20)18-9-7-17(22)8-10-18/h2-13,16H,14-15H2,1H3
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InChIKey
AWLSYGBVBZUGBY-UHFFFAOYSA-N
Physicochemical Property
logP
4.0705
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
40.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 155518189
ChEMBL ID
CHEMBL4446121
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 = 3200 nM
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