Bioactive Compound Details
| BioID | bio200104 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2148169 |
| Molecular Formula | C13H14O5 |
| Molecular Weight | 250.25 |
| Molecular Weight (Monoisotopic) | 250.0841 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Dimethyl 2-(2-Methoxybenzylidene)Malonate |
| Smiles | COC(=O)C(=Cc1ccccc1OC)C(=O)OC |
| Inchi | InChI=1S/C13H14O5/c1-16-11-7-5-4-6-9(11)8-10(12(14)17-2)13(15)18-3/h4-8H,1-3H3 |
| Inchi Key | BUBJQOIRJACMKL-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -0.17 |
| Records Key | ['5'] |
| Records Name | ['Dimethyl 2-(2-methoxybenzylidene)malonate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
