General Information of the Compound
Compound ID
CP0184827
Compound Name
4-[5-(4-Fluoro-phenyl)-1-methyl-2-(4-methylsulfanyl-phenyl)-1H-imidazol-4-yl]-pyridine
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Structure
Formula
C22H18FN3S
Molecular Weight
375.472
Canonical SMILES
CSc1ccc(cc1)-c1nc(c(-c2ccc(F)cc2)n1C)-c1ccncc1
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InChI
InChI=1S/C22H18FN3S/c1-26-21(16-3-7-18(23)8-4-16)20(15-11-13-24-14-12-15)25-22(26)17-5-9-19(27-2)10-6-17/h3-14H,1-2H3
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InChIKey
IAAZVAITVNPXCO-UHFFFAOYSA-N
Physicochemical Property
logP
5.6771
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 44319681
ChEMBL ID
CHEMBL85713
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 = 860.99 nM
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