Bioactive Compound Details
| BioID | bio198338 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2204774 |
| Molecular Formula | C15H13NS |
| Molecular Weight | 239.34 |
| Molecular Weight (Monoisotopic) | 239.0769 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 4-[(2-Phenylethyl)Sulfanyl]Benzonitrile |
| Smiles | N#Cc1ccc(SCCc2ccccc2)cc1 |
| Inchi | InChI=1S/C15H13NS/c16-12-14-6-8-15(9-7-14)17-11-10-13-4-2-1-3-5-13/h1-9H,10-11H2 |
| Inchi Key | RGMRPDCULUSBNT-UHFFFAOYSA-N |
| Molecular Species | None |
| Targets | 3.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -1.54 |
| Records Key | ['7i'] |
| Records Name | ['4-[(2-Phenylethyl)sulfanyl]benzonitrile'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
