General Information of the Compound
| Compound ID |
CP0395003
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methoxy-2-methyl-N-(1-oxy-3',4',5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1'-ylmethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25N3O3
|
||||||||||||||||||
| Molecular Weight |
355.438
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(C(=O)NCN2CCC(CC2)c2cccc[n+]2[O-])c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N3O3/c1-15-17(6-5-8-19(15)26-2)20(24)21-14-22-12-9-16(10-13-22)18-7-3-4-11-23(18)25/h3-8,11,16H,9-10,12-14H2,1-2H3,(H,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYDAZYYNABDKSL-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