General Information of the Compound
Compound ID
CP0891137
Compound Name
1-(4-((2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl)methyl)piperazin-1-yl)ethanone
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Structure
Formula
C19H19Cl2N5O
Molecular Weight
404.301
Canonical SMILES
CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnccn23)CC1
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InChI
InChI=1S/C19H19Cl2N5O/c1-13(27)25-8-6-24(7-9-25)12-17-19(15-3-2-14(20)10-16(15)21)23-18-11-22-4-5-26(17)18/h2-5,10-11H,6-9,12H2,1H3
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InChIKey
SQWWGQPVTCZADZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3672
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
53.74
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 121309893
ChEMBL ID
CHEMBL4295021
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