Bioactive Compound Details
| BioID | bio197349 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL449269 |
| Molecular Formula | C7H12N2OS2 |
| Molecular Weight | 204.32 |
| Molecular Weight (Monoisotopic) | 204.0391 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 1-Methylpropyl 2-Imidazolyl Disulfide |
| Smiles | CC(O)C(C)SSc1ncc[nH]1 |
| Inchi | InChI=1S/C7H12N2OS2/c1-5(10)6(2)11-12-7-8-3-4-9-7/h3-6,10H,1-2H3,(H,8,9) |
| Inchi Key | NQQRNMLDTOJWNQ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -0.31 |
| Records Key | ['PX-12'] |
| Records Name | ['1-Methylpropyl 2-imidazolyl disulfide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
