Bioactive Compound Details
| BioID | bio199853 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL80053 |
| Molecular Formula | C13H7NOS |
| Molecular Weight | 225.27 |
| Molecular Weight (Monoisotopic) | 225.0248 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Phenoxathiine-2-Carbonitrile |
| Smiles | N#Cc1ccc2c(c1)Sc1ccccc1O2 |
| Inchi | InChI=1S/C13H7NOS/c14-8-9-5-6-11-13(7-9)16-12-4-2-1-3-10(12)15-11/h1-7H |
| Inchi Key | SEQQECSHITUZQZ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -1.09 |
| Records Key | ['54'] |
| Records Name | ['Phenoxathiine-2-carbonitrile'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
