General Information of the Compound
| Compound ID |
CP0846260
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-ylamino)cyclohexanecarbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H20N6
|
||||||||||||||||||
| Molecular Weight |
272.356
|
||||||||||||||||||
| Canonical SMILES |
CNc1nc(NC2(C#N)CCCCC2)nc(C2CC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H20N6/c1-16-12-17-11(10-5-6-10)18-13(19-12)20-14(9-15)7-3-2-4-8-14/h10H,2-8H2,1H3,(H2,16,17,18,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RAQWULABCGLUNW-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: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A