General Information of the Compound
| Compound ID |
CP0404136
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-tert-butylphenyl)-6-chloro-1-oxidopyridin-1-ium-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17ClN2O2
|
||||||||||||||||||
| Molecular Weight |
304.777
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)[n+]([O-])c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17ClN2O2/c1-16(2,3)12-5-7-13(8-6-12)18-15(20)11-4-9-14(17)19(21)10-11/h4-10H,1-3H3,(H,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULDKOPGQRVFVCU-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