General Information of the Compound
Compound ID
CP0905416
Compound Name
3-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-6-methyl-2-phenylimidazo[1,2-a]pyridine
    Show/Hide
Structure
Formula
C25H25FN4
Molecular Weight
400.501
Canonical SMILES
Cc1ccc2nc(-c3ccccc3)c(CN3CCN(c4ccccc4F)CC3)n2c1
    Show/Hide
InChI
InChI=1S/C25H25FN4/c1-19-11-12-24-27-25(20-7-3-2-4-8-20)23(30(24)17-19)18-28-13-15-29(16-14-28)22-10-6-5-9-21(22)26/h2-12,17H,13-16,18H2,1H3
    Show/Hide
InChIKey
LJYNXMMMAARRQC-UHFFFAOYSA-N
Physicochemical Property
logP
4.77102
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
23.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 3565225
ChEMBL ID
CHEMBL1507648
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: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 100000 nM
   TI
   LI
   LO
   TS