General Information of the Compound
| Compound ID |
CP0060257
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene
Show/Hide
|
||||||||||||||||||
| Synonyms |
PMID28454500-Compound-20
Vinyl sulfone derivative 1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H13ClO3S
|
||||||||||||||||||
| Molecular Weight |
308.786
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1S(=O)(=O)\C=C\c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H13ClO3S/c1-19-14-8-4-5-9-15(14)20(17,18)11-10-12-6-2-3-7-13(12)16/h2-11H,1H3/b11-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVDYSDOWSIXKPB-ZHACJKMWSA-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
Clinical Information about the Compound