General Information of the Compound
Compound ID
CP0887652
Compound Name
N-(2-(2,4-dichlorophenyl)-3-((5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl)methyl)imidazo[1,2-a]pyridin-6-yl)methanesulfonamide
    Show/Hide
Structure
Formula
C20H19Cl2N7O2S
Molecular Weight
492.392
Canonical SMILES
CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCn4ncnc4C3)n2c1
    Show/Hide
InChI
InChI=1S/C20H19Cl2N7O2S/c1-32(30,31)26-14-3-5-18-25-20(15-4-2-13(21)8-16(15)22)17(28(18)9-14)10-27-6-7-29-19(11-27)23-12-24-29/h2-5,8-9,12,26H,6-7,10-11H2,1H3
    Show/Hide
InChIKey
AWHBPECSQJKHEA-UHFFFAOYSA-N
Physicochemical Property
logP
3.2869
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
97.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
32

"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: 121309890
ChEMBL ID
CHEMBL4289522
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