General Information of the Compound
Compound ID
CP0461254
Compound Name
2-(furan-2-yl)-4-methoxy-[1,2,4]triazolo[1,5-a]quinoxaline
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Structure
Formula
C14H10N4O2
Molecular Weight
266.26
Canonical SMILES
COc1nc2ccccc2n2nc(nc12)-c1ccco1
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InChI
InChI=1S/C14H10N4O2/c1-19-14-13-16-12(11-7-4-8-20-11)17-18(13)10-6-3-2-5-9(10)15-14/h2-8H,1H3
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InChIKey
KNYKQSHMJAGPHW-UHFFFAOYSA-N
Physicochemical Property
logP
2.5461
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
65.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 44452478
ChEMBL ID
CHEMBL406807
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: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 331.13 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 398.11 nM
   TI
   LI
   LO
   TS