General Information of the Compound
Compound ID
CP0855312
Compound Name
N-((2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)tetrahydro-2H-pyran-4-amine
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Structure
Formula
C25H24ClN3O
Molecular Weight
417.94
Canonical SMILES
Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CNC2CCOCC2)cc1
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InChI
InChI=1S/C25H24ClN3O/c26-21-9-6-19(7-10-21)25-23(16-27-22-12-14-30-15-13-22)29-17-20(8-11-24(29)28-25)18-4-2-1-3-5-18/h1-11,17,22,27H,12-16H2
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InChIKey
HMRUEQWBSGCRCE-UHFFFAOYSA-N
Physicochemical Property
logP
5.5903
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
38.56
Hydrogen Bond Donor Count
1
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).

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PubChem ID
CID: 121309742
ChEMBL ID
CHEMBL4285504
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 = 10000 nM
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