General Information of the Compound
Compound ID
CP0473788
Compound Name
8-(furan-2-yl)-9-methylpurin-6-amine
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Structure
Formula
C10H9N5O
Molecular Weight
215.216
Canonical SMILES
Cn1c(nc2c(N)ncnc12)-c1ccco1
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InChI
InChI=1S/C10H9N5O/c1-15-9(6-3-2-4-16-6)14-7-8(11)12-5-13-10(7)15/h2-5H,1H3,(H2,11,12,13)
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InChIKey
HBWZWSVAQBRFRS-UHFFFAOYSA-N
Physicochemical Property
logP
1.2055
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
82.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
16

"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: 76324476
ChEMBL ID
CHEMBL3087716
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 = 62 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 = 7.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 7.5 nM
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
Ki = 786 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 = 6419 nM
   TI
   LI
   LO
   TS