Bioactive Compound Details
| BioID | bio199597 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL113048 |
| Molecular Formula | C15H10N2OS |
| Molecular Weight | 266.32 |
| Molecular Weight (Monoisotopic) | 266.0514 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(4-Cyanobenzylsulfanyl)Benzoxazole |
| Smiles | N#Cc1ccc(CSc2nc3ccccc3o2)cc1 |
| Inchi | InChI=1S/C15H10N2OS/c16-9-11-5-7-12(8-6-11)10-19-15-17-13-3-1-2-4-14(13)18-15/h1-8H,10H2 |
| Inchi Key | CETJKLXDCSXDJO-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 20.0 |
| Np Likeness Score | -2.05 |
| Records Key | ['4g', '3z'] |
| Records Name | ['4-(Benzooxazol-2-ylsulfanylmethyl)-benzonitrile', '2-(4-Cyanobenzylsulfanyl)benzoxazole'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
