General Information of the Compound
| Compound ID |
CP0526885
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-[[6-tert-butyl-2-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33N3O3
|
||||||||||||||||||
| Molecular Weight |
423.557
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1ccc2OCOc2c1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33N3O3/c1-17-9-11-28(12-10-17)24-19(6-8-22(27-24)25(2,3)4)15-26-23(29)14-18-5-7-20-21(13-18)31-16-30-20/h5-8,13,17H,9-12,14-16H2,1-4H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAAPZZVAJSQFAX-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