General Information of the Compound
Compound ID
CP0510845
Compound Name
4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide
    Show/Hide
Structure
Formula
C16H12ClN3O
Molecular Weight
297.745
Canonical SMILES
NC(=O)c1ccc(cc1)-c1cn(cn1)-c1ccc(Cl)cc1
    Show/Hide
InChI
InChI=1S/C16H12ClN3O/c17-13-5-7-14(8-6-13)20-9-15(19-10-20)11-1-3-12(4-2-11)16(18)21/h1-10H,(H2,18,21)
    Show/Hide
InChIKey
LFBRWVHJXOFBGH-UHFFFAOYSA-N
Physicochemical Property
logP
3.2916
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
60.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 127027295
ChEMBL ID
CHEMBL3753891
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: PT01532, Mitogen-activated protein kinase kinase kinase kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000362 GripTite 293 MSR Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 270 nM