General Information of the Compound
Compound ID
CP0487895
Compound Name
1-(3,4-dichlorophenyl)-2,5-dimethyl-N-(6-methylpyridin-2-yl)imidazole-4-carboxamide
    Show/Hide
Structure
Formula
C18H16Cl2N4O
Molecular Weight
375.259
Canonical SMILES
Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(Cl)c(Cl)c1
    Show/Hide
InChI
InChI=1S/C18H16Cl2N4O/c1-10-5-4-6-16(21-10)23-18(25)17-11(2)24(12(3)22-17)13-7-8-14(19)15(20)9-13/h4-9H,1-3H3,(H,21,23,25)
    Show/Hide
InChIKey
IZARPTGZMISRHJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.75166
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
59.81
Hydrogen Bond Donor Count
1
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: 71580331
SID: 163625870
ChEMBL ID
CHEMBL2346726
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 = 5.8 nM
   TI
   LI
   LO
   TS