General Information of the Compound
| Compound ID |
CP0096456
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[4-[(E)-2-pyridin-2-ylethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
424.95
|
||||||||||||||||||
| Canonical SMILES |
Cl.O=S(=O)(\C=C\c1ccccn1)c1ccc(OCCCN2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N2O4S.ClH/c23-27(24,17-9-18-4-1-2-10-21-18)20-7-5-19(6-8-20)26-14-3-11-22-12-15-25-16-13-22;/h1-2,4-10,17H,3,11-16H2;1H/b17-9+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
MBEIGLZYGYMCBX-WWIHJBQESA-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