General Information of the Compound
Compound ID
CP0855325
Compound Name
7-((2-(2,4-dichlorophenyl)-6-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl)methyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
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Structure
Formula
C24H19Cl2N7
Molecular Weight
476.371
Canonical SMILES
Clc1ccc(-c2nc3ccc(-c4ccccn4)cn3c2CN2CCn3ncnc3C2)c(Cl)c1
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InChI
InChI=1S/C24H19Cl2N7/c25-17-5-6-18(19(26)11-17)24-21(13-31-9-10-33-23(14-31)28-15-29-33)32-12-16(4-7-22(32)30-24)20-3-1-2-8-27-20/h1-8,11-12,15H,9-10,13-14H2
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InChIKey
ZQYZZIQSTRNTAZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.9774
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
64.14
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: 121309842
ChEMBL ID
CHEMBL4285847
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