General Information of the Compound
Compound ID
CP0303465
Compound Name
4-[2-(3-Bromo-phenyl)-5-(4-fluoro-phenyl)-3H-imidazol-4-yl]-pyridine
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Structure
Formula
C20H13BrFN3
Molecular Weight
394.247
Canonical SMILES
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1cccc(Br)c1
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InChI
InChI=1S/C20H13BrFN3/c21-16-3-1-2-15(12-16)20-24-18(13-4-6-17(22)7-5-13)19(25-20)14-8-10-23-11-9-14/h1-12H,(H,24,25)
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InChIKey
SLEDJBMFRMKJLH-UHFFFAOYSA-N
Physicochemical Property
logP
5.7073
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 10318451
SID: 15327759
ChEMBL ID
CHEMBL85534
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 = 1400 nM