General Information of the Compound
| Compound ID |
CP0398296
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-pyridin-3-yl-4H-1,4-benzoxazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H10N2O2
|
||||||||||||||||||
| Molecular Weight |
226.235
|
||||||||||||||||||
| Canonical SMILES |
O=C1COc2cc(ccc2N1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H10N2O2/c16-13-8-17-12-6-9(3-4-11(12)15-13)10-2-1-5-14-7-10/h1-7H,8H2,(H,15,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GFBAAMCNXBMJKQ-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial