General Information of the Compound
| Compound ID |
CP0408419
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14N2O2
|
||||||||||||||||||
| Molecular Weight |
278.311
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)OC(=O)Nc2ccc(cc12)-c1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14N2O2/c1-17(2)14-9-13(6-7-15(14)19-16(20)21-17)12-5-3-4-11(8-12)10-18/h3-9H,1-2H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HVXMMYUSBANZAI-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
Protein ID: PT01172, Progesterone receptor