General Information of the Compound
Compound ID
CP0905105
Compound Name
N-(3-((4-acetylpiperazin-1-yl)methyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl)methanesulfonamide
    Show/Hide
Structure
Formula
C20H23ClN6O3S
Molecular Weight
462.963
Canonical SMILES
CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(NS(C)(=O)=O)cn23)CC1
    Show/Hide
InChI
InChI=1S/C20H23ClN6O3S/c1-14(28)26-9-7-25(8-10-26)12-17-20(15-3-5-16(21)6-4-15)23-19-11-22-18(13-27(17)19)24-31(2,29)30/h3-6,11,13,24H,7-10,12H2,1-2H3
    Show/Hide
InChIKey
LJLPLBIJMMUCSK-UHFFFAOYSA-N
Physicochemical Property
logP
2.0853
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
99.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
31

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 121309873
ChEMBL ID
CHEMBL4277005
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 > 100000 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