General Information of the Compound
Compound ID
CP0455823
Compound Name
2-(furan-2-yl)-5-(5-methylfuran-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
    Show/Hide
Structure
Formula
C14H10N4O2S
Molecular Weight
298.327
Canonical SMILES
Cc1ccc(o1)-c1nc(N)c2nc(sc2n1)-c1ccco1
    Show/Hide
InChI
InChI=1S/C14H10N4O2S/c1-7-4-5-8(20-7)12-17-11(15)10-14(18-12)21-13(16-10)9-3-2-6-19-9/h2-6H,1H3,(H2,15,17,18)
    Show/Hide
InChIKey
DSWHEWMWFGQIQI-UHFFFAOYSA-N
Physicochemical Property
logP
3.49692
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
90.97
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
21

"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: 155513515
ChEMBL ID
CHEMBL4439172
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 = 45.9 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 = 2.36 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 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 13.76 nM
   TI
   LI
   LO
   TS