General Information of the Compound
| Compound ID |
CP0856418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19FN6
|
||||||||||||||||||
| Molecular Weight |
326.379
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19FN6/c1-11-6-8-24(9-7-11)17-21-15(14-10-19-23-16(14)22-17)20-13-4-2-12(18)3-5-13/h2-5,10-11H,6-9H2,1H3,(H2,19,20,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWBORGXYFBQQJS-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C