General Information of the Compound
Compound ID
CP0875317
Compound Name
4-((2-(4-chlorophenyl)-6-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl)methyl)morpholine
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Structure
Formula
C22H20ClN3OS
Molecular Weight
409.942
Canonical SMILES
Clc1ccc(-c2nc3ccc(-c4cccs4)cn3c2CN2CCOCC2)cc1
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InChI
InChI=1S/C22H20ClN3OS/c23-18-6-3-16(4-7-18)22-19(15-25-9-11-27-12-10-25)26-14-17(5-8-21(26)24-22)20-2-1-13-28-20/h1-8,13-14H,9-12,15H2
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InChIKey
UGKLQEKBTSINDK-UHFFFAOYSA-N
Physicochemical Property
logP
5.2154
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
29.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 121309672
ChEMBL ID
CHEMBL4279533
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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   LI
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