General Information of the Compound
Compound ID
CP0913212
Compound Name
4-((2-(4-chlorophenyl)-6-(pyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl)methyl)morpholine
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Structure
Formula
C22H20ClN5O
Molecular Weight
405.889
Canonical SMILES
Clc1ccc(-c2nc3ccc(-c4ncccn4)cn3c2CN2CCOCC2)cc1
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InChI
InChI=1S/C22H20ClN5O/c23-18-5-2-16(3-6-18)21-19(15-27-10-12-29-13-11-27)28-14-17(4-7-20(28)26-21)22-24-8-1-9-25-22/h1-9,14H,10-13,15H2
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InChIKey
KQNYTMJAVWQXAD-UHFFFAOYSA-N
Physicochemical Property
logP
3.9439
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
55.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 121309787
ChEMBL ID
CHEMBL4287258
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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