Bioactive Compound Details
| BioID | bio198441 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2046809 |
| Molecular Formula | C12H17NO2S |
| Molecular Weight | 239.34 |
| Molecular Weight (Monoisotopic) | 239.098 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(Isobutylthio)Phenyl Methylcarbamate |
| Smiles | CNC(=O)Oc1ccccc1SCC(C)C |
| Inchi | InChI=1S/C12H17NO2S/c1-9(2)8-16-11-7-5-4-6-10(11)15-12(14)13-3/h4-7,9H,8H2,1-3H3,(H,13,14) |
| Inchi Key | MYKBBBLLKYQTKF-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | -0.72 |
| Records Key | ['12b'] |
| Records Name | ['2-(isobutylthio)phenyl methylcarbamate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
