General Information of the Compound
Compound ID
CP0905104
Compound Name
3-(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)-1,2,4-oxadiazole
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Structure
Formula
C21H16Cl2N8O
Molecular Weight
467.32
Canonical SMILES
Clc1ccc(-c2nc3ccc(-c4ncon4)cn3c2CN2CCn3ncnc3C2)c(Cl)c1
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InChI
InChI=1S/C21H16Cl2N8O/c22-14-2-3-15(16(23)7-14)20-17(9-29-5-6-31-19(10-29)24-11-26-31)30-8-13(1-4-18(30)27-20)21-25-12-32-28-21/h1-4,7-8,11-12H,5-6,9-10H2
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InChIKey
MFTNCMHUMNPULS-UHFFFAOYSA-N
Physicochemical Property
logP
3.9654
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
90.17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
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).

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PubChem ID
CID: 121309877
ChEMBL ID
CHEMBL4293240
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