General Information of the Compound
Compound ID
CP0329193
Compound Name
4-[2-(4-Bromo-phenyl)-5-phenyl-3H-imidazol-4-yl]-pyridine
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Structure
Formula
C20H14BrN3
Molecular Weight
376.257
Canonical SMILES
Brc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccncc1
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InChI
InChI=1S/C20H14BrN3/c21-17-8-6-16(7-9-17)20-23-18(14-4-2-1-3-5-14)19(24-20)15-10-12-22-13-11-15/h1-13H,(H,23,24)
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InChIKey
QUKMNFBZSMFVFB-UHFFFAOYSA-N
Physicochemical Property
logP
5.5682
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 10474631
SID: 15498279
ChEMBL ID
CHEMBL312928
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: PT01473, Glucagon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 40.09 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 782 nM