General Information of the Compound
Compound ID
CP0093287
Compound Name
6-fluoro-2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1H-benzimidazole
    Show/Hide
Structure
Formula
C20H13FN4
Molecular Weight
328.35
Canonical SMILES
Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
    Show/Hide
InChI
InChI=1S/C20H13FN4/c21-15-7-8-16-17(11-15)24-20(23-16)14-5-3-4-13(10-14)18-12-25-9-2-1-6-19(25)22-18/h1-12H,(H,23,24)
    Show/Hide
InChIKey
BUKQLTRSESWIRN-UHFFFAOYSA-N
Physicochemical Property
logP
4.6837
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
45.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 56925548
SID: 135607768
ChEMBL ID
CHEMBL1923752
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: PT01020, Beta-secretase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000008 H4 Homo sapiens (Human)  1
1
EC50 = 120 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 35 nM
2 Ki = 34 nM