General Information of the Compound
Compound ID
CP0426317
Compound Name
2-(furan-2-yl)pyrazolo[1,5-c]quinazolin-5-amine
    Show/Hide
Structure
Formula
C14H10N4O
Molecular Weight
250.261
Canonical SMILES
Nc1nc2ccccc2c2cc(nn12)-c1ccco1
    Show/Hide
InChI
InChI=1S/C14H10N4O/c15-14-16-10-5-2-1-4-9(10)12-8-11(17-18(12)14)13-6-3-7-19-13/h1-8H,(H2,15,16)
    Show/Hide
InChIKey
GCEXNVIZJIGQML-UHFFFAOYSA-N
Physicochemical Property
logP
2.7247
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
69.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 71508481
SID: 163496232
ChEMBL ID
CHEMBL2312725
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 = 35 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 = 80 nM
   TI
   LI
   LO
   TS
Protein ID: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS