General Information of the Compound
Compound ID
CP0429537
Compound Name
2,6-bis(furan-2-yl)imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C14H10N4O2
Molecular Weight
266.26
Canonical SMILES
Nc1nc(cn2cc(nc12)-c1ccco1)-c1ccco1
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InChI
InChI=1S/C14H10N4O2/c15-13-14-17-10(12-4-2-6-20-12)8-18(14)7-9(16-13)11-3-1-5-19-11/h1-8H,(H2,15,16)
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InChIKey
GOGGGJNLSFUNNU-UHFFFAOYSA-N
Physicochemical Property
logP
2.8315
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
82.49
Hydrogen Bond Donor Count
1
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: 137639818
ChEMBL ID
CHEMBL4071067
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 = 316 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 854 nM
   TI
   LI
   LO
   TS