General Information of the Compound
| Compound ID |
CP0538958
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-(2-(Azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]pyrimidin-4-yl) 1- adamantylcarboxamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H34N6O
|
||||||||||||||||||
| Molecular Weight |
422.577
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C12CC3CC(CC(C3)C1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H34N6O/c31-23(24-12-17-9-18(13-24)11-19(10-17)14-24)28-21-20-15-27-30(22(20)26-16-25-21)8-7-29-5-3-1-2-4-6-29/h15-19H,1-14H2,(H,25,26,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HQFDVEZTZCFDQL-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