General Information of the Compound
| Compound ID |
CP0900117
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(2-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)propylcarbamoyl)-2,4-dimethylpyridine 1-oxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33BrN4O3
|
||||||||||||||||||
| Molecular Weight |
517.468
|
||||||||||||||||||
| Canonical SMILES |
CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)CNC(=O)c2c(C)cc[n+]([O-])c2C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33BrN4O3/c1-5-33-28-24(20-6-8-22(26)9-7-20)21-11-13-29(14-12-21)18(3)16-27-25(31)23-17(2)10-15-30(32)19(23)4/h6-10,15,18,21H,5,11-14,16H2,1-4H3,(H,27,31)/b28-24-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZAQPOANHTFMLPP-COOPMVRXSA-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