General Information of the Compound
| Compound ID |
CP0404784
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,4-Dimethyl-6-(1H-pyrrol-2-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H14N2O2
|
||||||||||||||||||
| Molecular Weight |
242.278
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H14N2O2/c1-14(2)10-8-9(11-4-3-7-15-11)5-6-12(10)16-13(17)18-14/h3-8,15H,1-2H3,(H,16,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SMKZYKBPVNAOJL-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