General Information of the Compound
| Compound ID |
CP0388355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N2O4S
|
||||||||||||||||||
| Molecular Weight |
440.565
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OCCN(CC(=O)NCc2ccccc2)Cc2cccs2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N2O4S/c1-28-22-11-10-20(15-23(22)29-2)30-13-12-26(17-21-9-6-14-31-21)18-24(27)25-16-19-7-4-3-5-8-19/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGAACWFMUVJUEG-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