Bioactive Compound Details
| BioID | bio199972 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2089325 |
| Molecular Formula | C14H10N2O6 |
| Molecular Weight | 302.24 |
| Molecular Weight (Monoisotopic) | 302.0539 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 4-Nitrobenzyl 2-Nitrobenzoate |
| Smiles | O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] |
| Inchi | InChI=1S/C14H10N2O6/c17-14(12-3-1-2-4-13(12)16(20)21)22-9-10-5-7-11(8-6-10)15(18)19/h1-8H,9H2 |
| Inchi Key | KJUUWRYIMNTSLH-UHFFFAOYSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -1.14 |
| Records Key | ['150, NCI 403576'] |
| Records Name | ['4-nitrobenzyl 2-nitrobenzoate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
