General Information of the Compound
| Compound ID |
CP0545878
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-(azetidin-3-ylamino)-1-ethyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H19N5O2
|
||||||||||||||||||
| Molecular Weight |
301.35
|
||||||||||||||||||
| Canonical SMILES |
CCC1N2C(COc3ccc(NC4CNC4)cc23)=NNC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H19N5O2/c1-2-11-15(21)19-18-14-8-22-13-4-3-9(5-12(13)20(11)14)17-10-6-16-7-10/h3-5,10-11,16-17H,2,6-8H2,1H3,(H,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWPADHROBZIQEE-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: PT00858, Protein kinase C alpha type
Protein ID: PT01127, Protein kinase C theta type