General Information of the Compound
Compound ID
CP0036234
Compound Name
4-[2-(4-Chloro-phenyl)-5-(2-phenoxy-phenyl)-3H-imidazol-4-yl]-pyridine
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Structure
Formula
C26H18ClN3O
Molecular Weight
423.903
Canonical SMILES
Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1Oc1ccccc1)-c1ccncc1
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InChI
InChI=1S/C26H18ClN3O/c27-20-12-10-19(11-13-20)26-29-24(18-14-16-28-17-15-18)25(30-26)22-8-4-5-9-23(22)31-21-6-2-1-3-7-21/h1-17H,(H,29,30)
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InChIKey
COXXCKLSWHHFDS-UHFFFAOYSA-N
Physicochemical Property
logP
7.2514
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 10093802
SID: 15081127
ChEMBL ID
CHEMBL314701
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 = 150.31 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6.5 nM
2 IC50 = 290 nM