General Information of the Compound
| Compound ID |
CP0457610
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-methyl-4-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]phenyl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19NO4
|
||||||||||||||||||
| Molecular Weight |
325.364
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Oc1ccc(CCc2ccc3OCC(=O)Nc3c2)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19NO4/c1-12-9-16(24-13(2)21)7-6-15(12)5-3-14-4-8-18-17(10-14)20-19(22)11-23-18/h4,6-10H,3,5,11H2,1-2H3,(H,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXEWZFOAGCTZMH-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