General Information of the Compound
| Compound ID |
CP0862030
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(methylamino)-6-(phenylamino)-1,3,5-triazin-2-ylamino)cyclohexanecarbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21N7
|
||||||||||||||||||
| Molecular Weight |
323.404
|
||||||||||||||||||
| Canonical SMILES |
CNc1nc(Nc2ccccc2)nc(NC2(C#N)CCCCC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21N7/c1-19-14-21-15(20-13-8-4-2-5-9-13)23-16(22-14)24-17(12-18)10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H3,19,20,21,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRHRQFCJRZYQAE-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