General Information of the Compound
| Compound ID |
CP0503474
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-Chloro-N-(4-fluoro-benzyl)-1-oxy-nicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H10ClFN2O2
|
||||||||||||||||||
| Molecular Weight |
280.686
|
||||||||||||||||||
| Canonical SMILES |
[O-][n+]1cc(ccc1Cl)C(=O)NCc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H10ClFN2O2/c14-12-6-3-10(8-17(12)19)13(18)16-7-9-1-4-11(15)5-2-9/h1-6,8H,7H2,(H,16,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PVKNFEVXYDPTDR-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