General Information of the Compound
| Compound ID |
CP0551633
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-anilino-N-(5-anilino-1-methylpyrazolo[3,4-c]pyridin-3-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N6O
|
||||||||||||||||||
| Molecular Weight |
372.432
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(NC(=O)CNc2ccccc2)c2cc(Nc3ccccc3)ncc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N6O/c1-27-18-13-23-19(24-16-10-6-3-7-11-16)12-17(18)21(26-27)25-20(28)14-22-15-8-4-2-5-9-15/h2-13,22H,14H2,1H3,(H,23,24)(H,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LABUOQVBWAXPSG-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