General Information of the Compound
| Compound ID |
CP0072944
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-(benzyl(methyl)amino)ethyl)-4-nitrobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N3O3
|
||||||||||||||||||
| Molecular Weight |
313.357
|
||||||||||||||||||
| Canonical SMILES |
CN(CCNC(=O)c1ccc(cc1)[N+]([O-])=O)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N3O3/c1-19(13-14-5-3-2-4-6-14)12-11-18-17(21)15-7-9-16(10-8-15)20(22)23/h2-10H,11-13H2,1H3,(H,18,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKTMHNRJFMSGMD-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
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1