Bioactive Compound Details
| BioID | bio200190 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2313600 |
| Molecular Formula | C14H10O3S |
| Molecular Weight | 258.3 |
| Molecular Weight (Monoisotopic) | 258.0351 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 3-(2-Thiophenacyl)Phthalide |
| Smiles | O=C(CC1OC(=O)c2ccccc21)c1cccs1 |
| Inchi | InChI=1S/C14H10O3S/c15-11(13-6-3-7-18-13)8-12-9-4-1-2-5-10(9)14(16)17-12/h1-7,12H,8H2 |
| Inchi Key | OZRMXRUQEGDLEU-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -0.63 |
| Records Key | ['4j'] |
| Records Name | ['3-(2-Thiophenacyl)phthalide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
