General Information of the Compound
Compound ID
CP0860779
Compound Name
4-((2-(4-chlorophenyl)-6-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl)methyl)piperazin-2-one
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Structure
Formula
C23H20ClN5O
Molecular Weight
417.9
Canonical SMILES
O=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccn4)cn23)CCN1
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InChI
InChI=1S/C23H20ClN5O/c24-18-7-4-16(5-8-18)23-20(14-28-12-11-26-22(30)15-28)29-13-17(6-9-21(29)27-23)19-3-1-2-10-25-19/h1-10,13H,11-12,14-15H2,(H,26,30)
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InChIKey
HPQMVBXYKXFHGT-UHFFFAOYSA-N
Physicochemical Property
logP
3.6485
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
62.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 121309840
ChEMBL ID
CHEMBL4290282
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 <= 1000 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 <= 1000 nM
   TI
   LI
   LO
   TS