General Information of the Compound
| Compound ID |
CP0445453
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H19N5O2
|
||||||||||||||||||
| Molecular Weight |
277.328
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1nc(N)nc2nn(CC(C)(C)C)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H19N5O2/c1-5-20-11(19)9-8-6-18(7-13(2,3)4)17-10(8)16-12(14)15-9/h6H,5,7H2,1-4H3,(H2,14,16,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHQGCSWKZBZAKF-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3