General Information of the Compound
Compound ID
CP0911768
Compound Name
N-(3-((4-acetylpiperazin-1-yl)methyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl)ethanesulfonamide
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Structure
Formula
C22H26ClN5O3S
Molecular Weight
476.002
Canonical SMILES
CCS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1
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InChI
InChI=1S/C22H26ClN5O3S/c1-3-32(30,31)25-19-8-9-21-24-22(17-4-6-18(23)7-5-17)20(28(21)14-19)15-26-10-12-27(13-11-26)16(2)29/h4-9,14,25H,3,10-13,15H2,1-2H3
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InChIKey
LIQGWXWAFDWKDV-UHFFFAOYSA-N
Physicochemical Property
logP
3.0804
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
87.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 121309859
ChEMBL ID
CHEMBL4291970
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 = 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06387, Solute carrier family 2, facilitated glucose transporter member 3
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: PT03440, Solute carrier family 2, facilitated glucose transporter member 4
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