Bioactive Compound Details
| BioID | bio199289 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2148185 |
| Molecular Formula | C12H18O4 |
| Molecular Weight | 226.27 |
| Molecular Weight (Monoisotopic) | 226.1205 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Dimethyl 2-(Cyclohexylmethylene)Malonate |
| Smiles | COC(=O)C(=CC1CCCCC1)C(=O)OC |
| Inchi | InChI=1S/C12H18O4/c1-15-11(13)10(12(14)16-2)8-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3 |
| Inchi Key | BHXIMVYAOCEUAI-UHFFFAOYSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.45 |
| Records Key | ['21'] |
| Records Name | ['Dimethyl 2-(cyclohexylmethylene)malonate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
