Bioactive Compound Details
| BioID | bio199288 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL498499 |
| Molecular Formula | C15H13NO4 |
| Molecular Weight | 271.27 |
| Molecular Weight (Monoisotopic) | 271.0845 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 3-Methylbenzyl 2'-Nitrobenzoate |
| Smiles | Cc1cccc(COC(=O)c2ccccc2[N+](=O)[O-])c1 |
| Inchi | InChI=1S/C15H13NO4/c1-11-5-4-6-12(9-11)10-20-15(17)13-7-2-3-8-14(13)16(18)19/h2-9H,10H2,1H3 |
| Inchi Key | KBDALJIVZUHRTQ-UHFFFAOYSA-N |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -1.29 |
| Records Key | ['37'] |
| Records Name | [3-Methylbenzyl 2'-nitrobenzoate"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
