Bioactive Compound Details
| BioID | bio17909 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2260600 |
| Molecular Formula | C16H8N2O4 |
| Molecular Weight | 292.25 |
| Molecular Weight (Monoisotopic) | 292.0484 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar29 |
| Target Name | IBD3 |
| Synonyms | None |
| Smiles | O=C1c2ccccc2-c2noc(-c3ccc([N+](=O)[O-])cc3)c21 |
| Inchi | InChI=1S/C16H8N2O4/c19-15-12-4-2-1-3-11(12)14-13(15)16(22-17-14)9-5-7-10(8-6-9)18(20)21/h1-8H |
| Inchi Key | OYQPQNZYGSEGQA-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 6.0 |
| Bioactivities | 20.0 |
| Np Likeness Score | -0.65 |
| Records Key | ['BD3'] |
| Records Name | ['3-(4-nitrophenyl)-4H-indeno[1,2-c][1,2]isoxazol-4-one'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
