General Information of the Compound
| Compound ID |
CP0554549
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27F3N2O3
|
||||||||||||||||||
| Molecular Weight |
448.485
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1N1CCC(C)CC1)C(F)(F)F)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27F3N2O3/c1-15-7-9-29(10-8-15)20-12-19(24(25,26)27)5-3-18(20)13-28-23(30)16(2)17-4-6-21-22(11-17)32-14-31-21/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YHGAJZDLFADOEV-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