General Information of the Compound
| Compound ID |
CP0506496
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-((2-methoxyethyl)(propyl)amino)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)isophthalonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N7O
|
||||||||||||||||||
| Molecular Weight |
389.463
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(cc1C#N)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N7O/c1-5-8-27(9-10-29-4)20-19-14(2)26-28(21(19)25-15(3)24-20)18-7-6-16(12-22)11-17(18)13-23/h6-7,11H,5,8-10H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SAPYMAGZLJWDRG-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