General Information of the Compound
| Compound ID |
CP0876523
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N4-(4-fluorophenyl)-N6-(3-methoxypropyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17FN6O
|
||||||||||||||||||
| Molecular Weight |
316.34
|
||||||||||||||||||
| Canonical SMILES |
COCCCNc1nc(Nc2ccc(F)cc2)c2cn[nH]c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17FN6O/c1-23-8-2-7-17-15-20-13(12-9-18-22-14(12)21-15)19-11-5-3-10(16)4-6-11/h3-6,9H,2,7-8H2,1H3,(H3,17,18,19,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTLATNBNWPWWKI-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