General Information of the Compound
| Compound ID |
CP0502734
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-methylsulfanylphenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23N3O2S
|
||||||||||||||||||
| Molecular Weight |
357.479
|
||||||||||||||||||
| Canonical SMILES |
CSc1cccc(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23N3O2S/c1-25-17-6-4-5-16(13-17)20-19(23)14-21-11-8-15(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H,20,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QZGWOPNJRPKEEM-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