General Information of the Compound
| Compound ID |
CP0564181
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25FN6O
|
||||||||||||||||||
| Molecular Weight |
396.47
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25FN6O/c1-28-18-14(11-25-19(23)26-18)17(27-28)13-2-3-16(15(22)10-13)29-12-20-4-7-21(24,8-5-20)9-6-20/h2-3,10-11H,4-9,12,24H2,1H3,(H2,23,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JGBLHVKRSBVZJG-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