General Information of the Compound
Compound ID
CP0860792
Compound Name
N-(2-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl)-N-methylmethanesulfonamide
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Structure
Formula
C20H24ClN5O2S
Molecular Weight
433.965
Canonical SMILES
CN(c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCNCC3)n2c1)S(C)(=O)=O
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InChI
InChI=1S/C20H24ClN5O2S/c1-24(29(2,27)28)17-7-8-19-23-20(15-3-5-16(21)6-4-15)18(26(19)13-17)14-25-11-9-22-10-12-25/h3-8,13,22H,9-12,14H2,1-2H3
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InChIKey
RXYGWGHYYYKMCJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.4557
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
69.95
Hydrogen Bond Donor Count
1
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: 121309844
ChEMBL ID
CHEMBL4279905
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 = 10000 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 > 100000 nM
   TI
   LI
   LO
   TS