General Information of the Compound
| Compound ID |
CP0434110
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-bromophenylamino)-1,4,4-trimethyl-1H-benzo[d][1,3]oxazin-2(4H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17BrN2O2
|
||||||||||||||||||
| Molecular Weight |
361.239
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)OC(C)(C)c2cc(Nc3ccc(Br)cc3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17BrN2O2/c1-17(2)14-10-13(19-12-6-4-11(18)5-7-12)8-9-15(14)20(3)16(21)22-17/h4-10,19H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PVFYZNUIVXQJMV-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