General Information of the Compound
Compound ID
CP0394048
Compound Name
3-cyano-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
    Show/Hide
Structure
Formula
C21H14N4O
Molecular Weight
338.37
Canonical SMILES
O=C(Nc1c(nc2ccccn12)-c1ccccc1)c1cccc(c1)C#N
    Show/Hide
InChI
InChI=1S/C21H14N4O/c22-14-15-7-6-10-17(13-15)21(26)24-20-19(16-8-2-1-3-9-16)23-18-11-4-5-12-25(18)20/h1-13H,(H,24,26)
    Show/Hide
InChIKey
UMVPQAIJHNBQAF-UHFFFAOYSA-N
Physicochemical Property
logP
4.12528
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
70.19
Hydrogen Bond Donor Count
1
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 4789737
SID: 16697880
ChEMBL ID
CHEMBL207346
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1990 nM
   TI
   LI
   LO
   TS