| BioID | bio198559 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL112059 |
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| Molecular Formula | C14H9N3O5S |
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| Molecular Weight | 331.31 |
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| Molecular Weight (Monoisotopic) | 331.0263 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | 2-(2,4-Dinitrobenzylsulfanyl)Benzoxazole |
|---|
| Smiles | O=[N+]([O-])c1ccc(CSc2nc3ccccc3o2)c([N+](=O)[O-])c1 |
|---|
| Inchi | InChI=1S/C14H9N3O5S/c18-16(19)10-6-5-9(12(7-10)17(20)21)8-23-14-15-11-3-1-2-4-13(11)22-14/h1-7H,8H2 |
|---|
| Inchi Key | ROVFEHRQUKDXSX-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 7.0 |
|---|
| Bioactivities | 25.0 |
|---|
| Np Likeness Score | -1.81 |
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| Records Key | ['3u', '4f'] |
|---|
| Records Name | ['2-(2,4-Dinitrobenzylsulfanyl)benzoxazole', '2-(2,4-Dinitro-benzylsulfanyl)-benzooxazole'] |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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