Bioactive Compound Details
| BioID | bio197945 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2148170 |
| Molecular Formula | C12H11NO6 |
| Molecular Weight | 265.22 |
| Molecular Weight (Monoisotopic) | 265.0586 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Dimethyl 2-(4-Nitrobenzylidene)Malonate |
| Smiles | COC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)OC |
| Inchi | InChI=1S/C12H11NO6/c1-18-11(14)10(12(15)19-2)7-8-3-5-9(6-4-8)13(16)17/h3-7H,1-2H3 |
| Inchi Key | WKQDFBKYIAEZEP-UHFFFAOYSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -0.47 |
| Records Key | ['6'] |
| Records Name | ['Dimethyl 2-(4-nitrobenzylidene)malonate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
