General Information of the Compound
| Compound ID |
CP0848761
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N6-cyclopentyl-N4-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17FN6
|
||||||||||||||||||
| Molecular Weight |
312.352
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Nc2nc(NC3CCCC3)nc3[nH]ncc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17FN6/c17-10-5-7-12(8-6-10)19-14-13-9-18-23-15(13)22-16(21-14)20-11-3-1-2-4-11/h5-9,11H,1-4H2,(H3,18,19,20,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YHPHPDDUBYQLEF-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