| BioID | bio197248 |
|---|
| Name | None |
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| ChEMBL ID | CHEMBL270682 |
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| Molecular Formula | C14H16N2O10 |
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| Molecular Weight | 372.29 |
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| Molecular Weight (Monoisotopic) | 372.0805 |
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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-{[6,7-Bis(Nitrooxy)Heptanoyl]Oxy}Benzoic Acid |
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| Smiles | O=C(CCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O |
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| Inchi | InChI=1S/C14H16N2O10/c17-13(25-12-7-3-2-6-11(12)14(18)19)8-4-1-5-10(26-16(22)23)9-24-15(20)21/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,19) |
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| Inchi Key | BZXGOHVKNHVGDC-UHFFFAOYSA-N |
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| Molecular Species | ACID |
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| Targets | 4.0 |
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| Bioactivities | 7.0 |
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| Np Likeness Score | 0.09 |
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| Records Key | ['54'] |
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| Records Name | ['2-{[6,7-bis(nitrooxy)heptanoyl]oxy}benzoic Acid'] |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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