Bioactive Compound Details
| BioID | bio197375 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL393701 |
| Molecular Formula | C15H17F3O2 |
| Molecular Weight | 286.29 |
| Molecular Weight (Monoisotopic) | 286.1181 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Methyl 2-(3-(Trifluoromethyl)Phenyl)Cyclohexanecarboxylate |
| Smiles | COC(=O)[C@@H]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 |
| Inchi | InChI=1S/C15H17F3O2/c1-20-14(19)13-8-3-2-7-12(13)10-5-4-6-11(9-10)15(16,17)18/h4-6,9,12-13H,2-3,7-8H2,1H3/t12-,13-/m1/s1 |
| Inchi Key | RFECIGQVKKOIMS-CHWSQXEVSA-N |
| Molecular Species | None |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | -0.38 |
| Records Key | ['21m'] |
| Records Name | ['methyl 2-(3-(trifluoromethyl)phenyl)cyclohexanecarboxylate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
