General Information of the Compound
| Compound ID |
CP0504992
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-6-(4-bromophenylamino)-4,4-dimethyl-1H-benzo[d][1,3]oxazin-2(4H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21BrN2O2
|
||||||||||||||||||
| Molecular Weight |
437.337
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)OC(=O)N(Cc2ccccc2)c2ccc(Nc3ccc(Br)cc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21BrN2O2/c1-23(2)20-14-19(25-18-10-8-17(24)9-11-18)12-13-21(20)26(22(27)28-23)15-16-6-4-3-5-7-16/h3-14,25H,15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HINGRVCUXDDBIX-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