General Information of the Compound
| Compound ID |
CP0456595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R)-1-methyl-9-[methyl-(3-methylazetidin-3-yl)amino]-8-(trifluoromethyl)-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20F3N5O2
|
||||||||||||||||||
| Molecular Weight |
383.374
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1N2C(COc3cc(c(cc23)N(C)C2(C)CNC2)C(F)(F)F)=NNC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20F3N5O2/c1-9-15(26)23-22-14-6-27-13-4-10(17(18,19)20)11(5-12(13)25(9)14)24(3)16(2)7-21-8-16/h4-5,9,21H,6-8H2,1-3H3,(H,23,26)/t9-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBMHZCFLOFGOKL-SECBINFHSA-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