General Information of the Compound
| Compound ID |
CP0935650
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-((3-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)butyl)(methyl)carbamoyl)-2,4-dimethylpyridine 1-oxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H37BrN4O3
|
||||||||||||||||||
| Molecular Weight |
545.522
|
||||||||||||||||||
| Canonical SMILES |
CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)CCN(C)C(=O)c2c(C)cc[n+]([O-])c2C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H37BrN4O3/c1-6-35-29-26(22-7-9-24(28)10-8-22)23-13-16-31(17-14-23)20(3)12-15-30(5)27(33)25-19(2)11-18-32(34)21(25)4/h7-11,18,20,23H,6,12-17H2,1-5H3/b29-26-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYNKDSXSXQDFRF-WCTVFOPTSA-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