| BioID | bio197150 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL517667 |
|---|
| Molecular Formula | C20H16F2O |
|---|
| Molecular Weight | 310.34 |
|---|
| Molecular Weight (Monoisotopic) | 310.1169 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2,6-Bis(2-Fluorobenzylidene)Cyclohexanone |
|---|
| Smiles | O=C1/C(=C/c2ccccc2F)CCC/C1=C\c1ccccc1F |
|---|
| Inchi | InChI=1S/C20H16F2O/c21-18-10-3-1-6-14(18)12-16-8-5-9-17(20(16)23)13-15-7-2-4-11-19(15)22/h1-4,6-7,10-13H,5,8-9H2/b16-12+,17-13+ |
|---|
| Inchi Key | WIDDWATUDMOWCU-UNZYHPAISA-N |
|---|
| Molecular Species | None |
|---|
| Targets | 13.0 |
|---|
| Bioactivities | 21.0 |
|---|
| Np Likeness Score | -0.75 |
|---|
| Records Key | ['C32', '26', '13', '3h', '299'] |
|---|
| Records Name | ['(2E,5E)-2,5-Bis(2-fluorobenzylidene)cyclopentanone', '2,6-bis(2-fluorobenzylidene)cyclohexanone', '2,6-bis(2-fluorobenzylidene)cyclohexanone', '2,6-bis(2-fluorobenzylidene)cyclohexanone', '2,6-bis(2-fluorobenzylidene)cyclohexan-1-one'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
