General Information of the Compound
| Compound ID |
CP0495697
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(4-chlorophenyl)ethyl]-N-(oxan-4-yl)-1-benzothiophene-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClNO2S
|
||||||||||||||||||
| Molecular Weight |
399.943
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CCN(C2CCOCC2)C(=O)c2csc3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22ClNO2S/c23-17-7-5-16(6-8-17)9-12-24(18-10-13-26-14-11-18)22(25)20-15-27-21-4-2-1-3-19(20)21/h1-8,15,18H,9-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRQBIRDPSWCMPT-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