| BioID | bio199367 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL538166 |
|---|
| Molecular Formula | C12H13NO7 |
|---|
| Molecular Weight | 283.24 |
|---|
| Molecular Weight (Monoisotopic) | 283.0692 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | 2-{[5-(Nitrooxy)Pentanoyl]Oxy}Benzoic Acid |
|---|
| Smiles | O=C(CCCCO[N+](=O)[O-])Oc1ccccc1C(=O)O |
|---|
| Inchi | InChI=1S/C12H13NO7/c14-11(7-3-4-8-19-13(17)18)20-10-6-2-1-5-9(10)12(15)16/h1-2,5-6H,3-4,7-8H2,(H,15,16) |
|---|
| Inchi Key | KAOWCISEJXXJGB-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -0.38 |
|---|
| Records Key | ['30'] |
|---|
| Records Name | ['2-{[5-(nitrooxy)pentanoyl]oxy}benzoic Acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
