| BioID | bio197446 |
|---|
| Name | None |
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| ChEMBL ID | CHEMBL270529 |
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| Molecular Formula | C12H12N2O10 |
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| Molecular Weight | 344.23 |
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| Molecular Weight (Monoisotopic) | 344.0492 |
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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-{[4,5-Bis(Nitrooxy)Pentanoyl]Oxy}Benzoic Acid |
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| Smiles | O=C(CCC(CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O |
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| Inchi | InChI=1S/C12H12N2O10/c15-11(23-10-4-2-1-3-9(10)12(16)17)6-5-8(24-14(20)21)7-22-13(18)19/h1-4,8H,5-7H2,(H,16,17) |
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| Inchi Key | LJAXGJBYVWHDJA-UHFFFAOYSA-N |
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| Molecular Species | ACID |
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| Targets | 4.0 |
|---|
| Bioactivities | 7.0 |
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| Np Likeness Score | -0.03 |
|---|
| Records Key | ['52'] |
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| Records Name | ['2-{[4,5-bis(nitrooxy)pentanoyl]oxy}benzoic Acid'] |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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