General Information of the Compound
Compound ID
CP0911786
Compound Name
1-(4-((2-(4-chlorophenyl)-6-(methylsulfonyl)imidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)ethanone
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Structure
Formula
C21H23ClN4O3S
Molecular Weight
446.96
Canonical SMILES
CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(S(C)(=O)=O)cn23)CC1
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InChI
InChI=1S/C21H23ClN4O3S/c1-15(27)25-11-9-24(10-12-25)14-19-21(16-3-5-17(22)6-4-16)23-20-8-7-18(13-26(19)20)30(2,28)29/h3-8,13H,9-12,14H2,1-2H3
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InChIKey
KQPJVIFJOKBGDJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.7223
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
74.99
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 121309926
ChEMBL ID
CHEMBL4276751
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 > 100000 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