General Information of the Compound
| Compound ID |
CP0463258
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(3,4,5-trifluorophenyl)piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18F3N3O3
|
||||||||||||||||||
| Molecular Weight |
405.376
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(cc(F)c1F)N1CCC(CC1)C(=O)Nc1ccc2OCC(=O)Nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18F3N3O3/c21-14-8-13(9-15(22)19(14)23)26-5-3-11(4-6-26)20(28)24-12-1-2-17-16(7-12)25-18(27)10-29-17/h1-2,7-9,11H,3-6,10H2,(H,24,28)(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDSQPCYZGZKQPK-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