General Information of the Compound
Compound ID
CP0382063
Compound Name
5-Fluoro-2'-methoxy-N-(6-methylpyridin-2-yl)biphenyl-3-carboxamide
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Structure
Formula
C20H17FN2O2
Molecular Weight
336.366
Canonical SMILES
COc1ccccc1-c1cc(F)cc(c1)C(=O)Nc1cccc(C)n1
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InChI
InChI=1S/C20H17FN2O2/c1-13-6-5-9-19(22-13)23-20(24)15-10-14(11-16(21)12-15)17-7-3-4-8-18(17)25-2/h3-12H,1-2H3,(H,22,23,24)
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InChIKey
HAZOEYGUJUIUQW-UHFFFAOYSA-N
Physicochemical Property
logP
4.45702
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 44158092
SID: 85158147
ChEMBL ID
CHEMBL467484
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS