Bioactive Compound Details
| BioID | bio198348 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL539524 |
| Molecular Formula | C12H12ClNS |
| Molecular Weight | 237.76 |
| Molecular Weight (Monoisotopic) | 201.0612 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Phenylsulfanylmethyl-Pyridine Hydrochloride |
| Smiles | Cl.c1ccc(SCc2ccccn2)cc1 |
| Inchi | InChI=1S/C12H11NS.ClH/c1-2-7-12(8-3-1)14-10-11-6-4-5-9-13-11;/h1-9H,10H2;1H |
| Inchi Key | WRYWJJVTPMRKFW-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | -1.95 |
| Records Key | ['1b'] |
| Records Name | ['2-Phenylsulfanylmethyl-pyridine hydrochloride'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
