General Information of the Compound
| Compound ID |
CP0543063
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-phenyl-7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[3,4-c]pyridine-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19N5O3
|
||||||||||||||||||
| Molecular Weight |
401.426
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Nc2nc(cc3c(n[nH]c23)-c2ccccc2)C#N)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19N5O3/c1-28-17-10-14(11-18(29-2)21(17)30-3)24-22-20-16(9-15(12-23)25-22)19(26-27-20)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,24,25)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGDXZJBGCQOZLE-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