General Information of the Compound
| Compound ID |
CP0399141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methoxy-4-(2-methoxyphenylthio)benzonitrile
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-methoxy-4-(2-methoxyphenylthio)benzonitrile
CHEMBL510145
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H13NO2S
|
||||||||||||||||||
| Molecular Weight |
271.341
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1Sc1ccc(C#N)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H13NO2S/c1-17-13-5-3-4-6-15(13)19-12-8-7-11(10-16)14(9-12)18-2/h3-9H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQGGJJSMEMAVIF-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
Clinical Information about the Compound