General Information of the Compound
| Compound ID |
CP0416969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25ClN2O2
|
||||||||||||||||||
| Molecular Weight |
372.896
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1CN1CCC(CNCc2ccc3OCOc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25ClN2O2/c22-19-4-2-1-3-18(19)14-24-9-7-16(8-10-24)12-23-13-17-5-6-20-21(11-17)26-15-25-20/h1-6,11,16,23H,7-10,12-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DPYPAWPQWZCYAC-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