General Information of the Compound
| Compound ID |
CP0573427
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R)-8-(2,6-difluorophenyl)-9-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26F2N4O2
|
||||||||||||||||||
| Molecular Weight |
440.494
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1c(F)cccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26F2N4O2/c1-13-11-29(3)8-7-15(13)16-9-20-21(10-17(16)23-18(25)5-4-6-19(23)26)32-12-22-27-28-24(31)14(2)30(20)22/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,28,31)/t13-,14+,15+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGUHOEPQNPFVGZ-RRFJBIMHSA-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