General Information of the Compound
| Compound ID |
CP0396507
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-fluoro-2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16FN3O
|
||||||||||||||||||
| Molecular Weight |
333.366
|
||||||||||||||||||
| Canonical SMILES |
CC1(Oc2cccc(F)c2C(N)=N1)c1cccc(c1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16FN3O/c1-20(24-19(22)18-16(21)8-3-9-17(18)25-20)15-7-2-5-13(11-15)14-6-4-10-23-12-14/h2-12H,1H3,(H2,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOXZOQBTPNNBOY-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