General Information of the Compound
| Compound ID |
CP0962699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)isoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N6
|
||||||||||||||||||
| Molecular Weight |
358.449
|
||||||||||||||||||
| Canonical SMILES |
c1ccc2c(-c3ncnc4c3cnn4CCN3CCCCC3)cncc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N6/c1-4-8-26(9-5-1)10-11-27-21-19(14-25-27)20(23-15-24-21)18-13-22-12-16-6-2-3-7-17(16)18/h2-3,6-7,12-15H,1,4-5,8-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGJJNLXFZBPSLW-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