General Information of the Compound
Compound ID
CP0853948
Compound Name
N-(3-((4-acetylpiperazin-1-yl)methyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl)-N-methylcyclopropanesulfonamide
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Structure
Formula
C24H28ClN5O3S
Molecular Weight
502.04
Canonical SMILES
CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N(C)S(=O)(=O)C4CC4)cn23)CC1
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InChI
InChI=1S/C24H28ClN5O3S/c1-17(31)29-13-11-28(12-14-29)16-22-24(18-3-5-19(25)6-4-18)26-23-10-7-20(15-30(22)23)27(2)34(32,33)21-8-9-21/h3-7,10,15,21H,8-9,11-14,16H2,1-2H3
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InChIKey
GRGUKLDTGWRIIS-UHFFFAOYSA-N
Physicochemical Property
logP
3.2472
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
78.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 121309872
ChEMBL ID
CHEMBL4283003
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