General Information of the Compound
Compound ID
CP0088613
Compound Name
4-[5-(4-Fluoro-phenyl)-2-(4-isopropyl-phenyl)-3H-imidazol-4-yl]-pyridine
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Structure
Formula
C23H20FN3
Molecular Weight
357.432
Canonical SMILES
CC(C)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
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InChI
InChI=1S/C23H20FN3/c1-15(2)16-3-5-19(6-4-16)23-26-21(17-7-9-20(24)10-8-17)22(27-23)18-11-13-25-14-12-18/h3-15H,1-2H3,(H,26,27)
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InChIKey
CPLKJAOVKQRYLU-UHFFFAOYSA-N
Physicochemical Property
logP
6.0682
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 10066912
SID: 15052053
ChEMBL ID
CHEMBL86250
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 = 280.54 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 700 nM