Bioactive Compound Details
| BioID | bio197159 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2148172 |
| Molecular Formula | C12H11ClO4 |
| Molecular Weight | 254.67 |
| Molecular Weight (Monoisotopic) | 254.0346 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Dimethyl 2-(4-Chlorobenzylidene)Malonate |
| Smiles | COC(=O)C(=Cc1ccc(Cl)cc1)C(=O)OC |
| Inchi | InChI=1S/C12H11ClO4/c1-16-11(14)10(12(15)17-2)7-8-3-5-9(13)6-4-8/h3-7H,1-2H3 |
| Inchi Key | MLMWUEGNVJDKQJ-UHFFFAOYSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -0.26 |
| Records Key | ['8'] |
| Records Name | ['Dimethyl 2-(4-chlorobenzylidene)malonate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
