General Information of the Compound
Compound ID
CP0412827
Compound Name
6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxamide
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Structure
Formula
C7H8N6O
Molecular Weight
192.182
Canonical SMILES
Cn1cc2c(nc(N)nc2n1)C(N)=O
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InChI
InChI=1S/C7H8N6O/c1-13-2-3-4(5(8)14)10-7(9)11-6(3)12-13/h2H,1H3,(H2,8,14)(H2,9,11,12)
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InChIKey
QQMHEWIMZJDRPV-UHFFFAOYSA-N
Physicochemical Property
logP
-0.9556
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
112.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
14

"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: 118732278
ChEMBL ID
CHEMBL3410294
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 = 10200 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 = 3000 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
Ki > 20000 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 > 100000 nM
   TI
   LI
   LO
   TS