General Information of the Compound
| Compound ID |
CP0420189
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3,5-dimethylphenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25N3O2
|
||||||||||||||||||
| Molecular Weight |
339.439
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)cc(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N3O2/c1-15-11-16(2)13-18(12-15)21-20(24)14-22-9-6-17(7-10-22)19-5-3-4-8-23(19)25/h3-5,8,11-13,17H,6-7,9-10,14H2,1-2H3,(H,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZDCZMCHOLDXSQV-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