Bioactive Compound Details
| BioID | bio199096 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL544058 |
| Molecular Formula | C12H18ClNS |
| Molecular Weight | 243.8 |
| Molecular Weight (Monoisotopic) | 207.1082 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Cyclohexylsulfanylmethyl-Pyridine Hydrochloride |
| Smiles | Cl.c1ccc(CSC2CCCCC2)nc1 |
| Inchi | InChI=1S/C12H17NS.ClH/c1-2-7-12(8-3-1)14-10-11-6-4-5-9-13-11;/h4-6,9,12H,1-3,7-8,10H2;1H |
| Inchi Key | TUGSRTZKOAHLEY-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -1.51 |
| Records Key | ['5a'] |
| Records Name | ['2-Cyclohexylsulfanylmethyl-pyridine hydrochloride'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
