General Information of the Compound
Compound ID
CP0382853
Compound Name
5-(furan-2-yl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
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Structure
Formula
C15H11N5O
Molecular Weight
277.287
Canonical SMILES
Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccco1
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InChI
InChI=1S/C15H11N5O/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18)
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InChIKey
GTENTXFTCULQOC-UHFFFAOYSA-N
Physicochemical Property
logP
2.6577
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
82.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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).

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PubChem ID
CID: 127047927
ChEMBL ID
CHEMBL3797284
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 = 206 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 = 195 nM
   TI
   LI
   LO
   TS