General Information of the Compound
| Compound ID |
CP0371707
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-1,3-benzodioxole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21ClN2O3
|
||||||||||||||||||
| Molecular Weight |
360.841
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCC(NC(=O)c1ccc2OCOc2c1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21ClN2O3/c1-22(2)10-9-16(13-3-6-15(20)7-4-13)21-19(23)14-5-8-17-18(11-14)25-12-24-17/h3-8,11,16H,9-10,12H2,1-2H3,(H,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CMYRHYWLVRLMEU-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