General Information of the Compound
| Compound ID |
CP0472126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(mesitylthio)-2-methoxybenzonitrile
Show/Hide
|
||||||||||||||||||
| Synonyms |
4-(mesitylthio)-2-methoxybenzonitrile
CHEMBL462022
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17NOS
|
||||||||||||||||||
| Molecular Weight |
283.396
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Sc2c(C)cc(C)cc2C)ccc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17NOS/c1-11-7-12(2)17(13(3)8-11)20-15-6-5-14(10-18)16(9-15)19-4/h5-9H,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPJRESPHGOONFU-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