| BioID | bio199638 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL419207 |
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| Molecular Formula | C14H9N3O5S |
|---|
| 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-(3,5-Dinitrobenzylsulfanyl)Benzoxazole |
|---|
| Smiles | O=[N+]([O-])c1cc(CSc2nc3ccccc3o2)cc([N+](=O)[O-])c1 |
|---|
| Inchi | InChI=1S/C14H9N3O5S/c18-16(19)10-5-9(6-11(7-10)17(20)21)8-23-14-15-12-3-1-2-4-13(12)22-14/h1-7H,8H2 |
|---|
| Inchi Key | UZXZHOKFIPNTRK-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 7.0 |
|---|
| Bioactivities | 33.0 |
|---|
| Np Likeness Score | -1.78 |
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| Records Key | ['3t', '4e'] |
|---|
| Records Name | ['2-(3,5-Dinitrobenzylsulfanyl)benzoxazole', '2-(3,5-Dinitro-benzylsulfanyl)-benzooxazole'] |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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