Bioactive Compound Details
| BioID | bio197970 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL144658 |
| Molecular Formula | C12H16O2S |
| Molecular Weight | 224.32 |
| Molecular Weight (Monoisotopic) | 224.0871 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Acetic Acid 2-Butylsulfanyl-Phenyl Ester |
| Smiles | CCCCSc1ccccc1OC(C)=O |
| Inchi | InChI=1S/C12H16O2S/c1-3-4-9-15-12-8-6-5-7-11(12)14-10(2)13/h5-8H,3-4,9H2,1-2H3 |
| Inchi Key | VEAHJCVQAWKJGU-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -0.64 |
| Records Key | ['43'] |
| Records Name | ['Acetic acid 2-butylsulfanyl-phenyl ester'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
