General Information of the Compound
Compound ID
CP0899449
Compound Name
4-((2-(5-chloropyridin-2-yl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)morpholine
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Structure
Formula
C23H21ClN4O
Molecular Weight
404.901
Canonical SMILES
Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)nc1
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InChI
InChI=1S/C23H21ClN4O/c24-19-7-8-20(25-14-19)23-21(16-27-10-12-29-13-11-27)28-15-18(6-9-22(28)26-23)17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2
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InChIKey
YXLIDCQZGZHKGV-UHFFFAOYSA-N
Physicochemical Property
logP
4.5489
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
42.66
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 121309888
ChEMBL ID
CHEMBL4278601
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
Protein ID: PT06319, Solute carrier family 2, facilitated glucose transporter member 2
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