General Information of the Compound
Compound ID
CP0427864
Compound Name
2,5-bis(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
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Structure
Formula
C13H8N4O2S
Molecular Weight
284.3
Canonical SMILES
Nc1nc(nc2sc(nc12)-c1ccco1)-c1ccco1
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InChI
InChI=1S/C13H8N4O2S/c14-10-9-13(17-11(16-10)7-3-1-5-18-7)20-12(15-9)8-4-2-6-19-8/h1-6H,(H2,14,16,17)
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InChIKey
YXLDLDOAWIUYIS-UHFFFAOYSA-N
Physicochemical Property
logP
3.1885
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
90.97
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 155510489
ChEMBL ID
CHEMBL4559969
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 = 69 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)  2
1
IC50 = 301 nM
   TI
   LI
   LO
   TS
2
Ki = 3.4 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 = 99 nM
   TI
   LI
   LO
   TS