General Information of the Compound
| Compound ID |
CP0377693
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[2-(2,4-dichlorophenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18Cl2N2O2S
|
||||||||||||||||||
| Molecular Weight |
385.316
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(OCCN2CCN(CC2)C(=O)c2cccs2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18Cl2N2O2S/c18-13-3-4-15(14(19)12-13)23-10-9-20-5-7-21(8-6-20)17(22)16-2-1-11-24-16/h1-4,11-12H,5-10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBDHKAQFNSRYNH-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