General Information of the Compound
Compound ID
CP0893167
Compound Name
1-(4-((2-(4-chlorophenyl)-6-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)ethanone
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Structure
Formula
C25H24ClN5O
Molecular Weight
445.954
Canonical SMILES
CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccn4)cn23)CC1
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InChI
InChI=1S/C25H24ClN5O/c1-18(32)30-14-12-29(13-15-30)17-23-25(19-5-8-21(26)9-6-19)28-24-10-7-20(16-31(23)24)22-4-2-3-11-27-22/h2-11,16H,12-15,17H2,1H3
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InChIKey
PGVDDIONDGINLS-UHFFFAOYSA-N
Physicochemical Property
logP
4.3808
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
53.74
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 121309839
ChEMBL ID
CHEMBL4291320
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