General Information of the Compound
Compound ID
CP0883788
Compound Name
N-(3-((4-acetylpiperazin-1-yl)methyl)-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl)-N-methylmethanesulfonamide
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Structure
Formula
C21H24Cl2N6O3S
Molecular Weight
511.435
Canonical SMILES
CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(N(C)S(C)(=O)=O)cn23)CC1
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InChI
InChI=1S/C21H24Cl2N6O3S/c1-14(30)28-8-6-27(7-9-28)12-18-21(16-5-4-15(22)10-17(16)23)25-19-11-24-20(13-29(18)19)26(2)33(3,31)32/h4-5,10-11,13H,6-9,12H2,1-3H3
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InChIKey
NXRYIOFNSBEQTF-UHFFFAOYSA-N
Physicochemical Property
logP
2.763
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
91.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 121309892
ChEMBL ID
CHEMBL4285572
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 = 10000 nM
   TI
   LI
   LO
   TS