General Information of the Compound
Compound ID
CP0864847
Compound Name
N-(2-(4-chlorophenyl)-3-((3-oxopiperazin-1-yl)methyl)imidazo[1,2-a]pyridin-6-yl)methanesulfonamide
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Structure
Formula
C19H20ClN5O3S
Molecular Weight
433.921
Canonical SMILES
CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCNC(=O)C3)n2c1
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InChI
InChI=1S/C19H20ClN5O3S/c1-29(27,28)23-15-6-7-17-22-19(13-2-4-14(20)5-3-13)16(25(17)10-15)11-24-9-8-21-18(26)12-24/h2-7,10,23H,8-9,11-12H2,1H3,(H,21,26)
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InChIKey
YZEJKTKDIINVMK-UHFFFAOYSA-N
Physicochemical Property
logP
1.958
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
95.81
Hydrogen Bond Donor Count
2
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: 121309833
ChEMBL ID
CHEMBL4295163
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