General Information of the Compound
| Compound ID |
CP0569089
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-2-methyl-3-phenylpyrazolo[3,4-d]pyridazin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17N5
|
||||||||||||||||||
| Molecular Weight |
315.38
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc2c(NCc3ccccc3)nncc2c1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17N5/c1-24-18(15-10-6-3-7-11-15)16-13-21-22-19(17(16)23-24)20-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZYBKMYRXKUZSF-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 | |||||||||||||||||||
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: PT01279, Adenosine receptor A3