General Information of the Compound
| Compound ID |
CP0248007
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[4-[(E)-2-(2-chloropyridin-3-yl)ethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24Cl2N2O4S
|
||||||||||||||||||
| Molecular Weight |
459.395
|
||||||||||||||||||
| Canonical SMILES |
Cl.Clc1ncccc1\C=C\S(=O)(=O)c1ccc(OCCCN2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23ClN2O4S.ClH/c21-20-17(3-1-9-22-20)8-16-28(24,25)19-6-4-18(5-7-19)27-13-2-10-23-11-14-26-15-12-23;/h1,3-9,16H,2,10-15H2;1H/b16-8+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJGLMOFZKQGKKZ-OHGISNTKSA-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