General Information of the Compound
| Compound ID |
CP0562709
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-[[6-tert-butyl-2-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35N3O3
|
||||||||||||||||||
| Molecular Weight |
437.584
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(C)(C)C)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N3O3/c1-17-10-12-29(13-11-17)24-20(7-9-23(28-24)26(3,4)5)15-27-25(30)18(2)19-6-8-21-22(14-19)32-16-31-21/h6-9,14,17-18H,10-13,15-16H2,1-5H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXUBNVYVYHDJRH-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