General Information of the Compound
| Compound ID |
CP0452649
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[7-amino-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-2-yl]phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N5O
|
||||||||||||||||||
| Molecular Weight |
345.406
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(CCCc2ccccc2)nc2cn(nc12)-c1ccccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N5O/c21-20-19-15(13-25(24-19)16-10-4-5-11-17(16)26)22-18(23-20)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,26H,6,9,12H2,(H2,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWIQZSRFCFCOGZ-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