General Information of the Compound
Compound ID
CP0481098
Compound Name
1-(4-methoxyphenyl)-2,5-dimethyl-N-(6-methylpyridin-2-yl)imidazole-4-carboxamide
    Show/Hide
Structure
Formula
C19H20N4O2
Molecular Weight
336.395
Canonical SMILES
COc1ccc(cc1)-n1c(C)nc(C(=O)Nc2cccc(C)n2)c1C
    Show/Hide
InChI
InChI=1S/C19H20N4O2/c1-12-6-5-7-17(20-12)22-19(24)18-13(2)23(14(3)21-18)15-8-10-16(25-4)11-9-15/h5-11H,1-4H3,(H,20,22,24)
    Show/Hide
InChIKey
UHSJOANGEBDQLX-UHFFFAOYSA-N
Physicochemical Property
logP
3.45346
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
69.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 71580333
SID: 163625872
ChEMBL ID
CHEMBL2346728
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 147 nM
   TI
   LI
   LO
   TS