General Information of the Compound
Compound ID
CP0853938
Compound Name
2-(3-((4-acetylpiperazin-1-yl)methyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl)benzonitrile
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Structure
Formula
C26H23ClN6O
Molecular Weight
470.964
Canonical SMILES
CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(-c4ccccc4C#N)cn23)CC1
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InChI
InChI=1S/C26H23ClN6O/c1-18(34)32-12-10-31(11-13-32)17-24-26(19-6-8-21(27)9-7-19)30-25-15-29-23(16-33(24)25)22-5-3-2-4-20(22)14-28/h2-9,15-16H,10-13,17H2,1H3
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InChIKey
QDCXPHAPNQUAFJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.25248
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
77.53
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: 121309774
ChEMBL ID
CHEMBL4289107
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 <= 1000 nM
   TI
   LI
   LO
   TS