Bioactive Compound Details
| BioID | bio199782 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2011414 |
| Molecular Formula | C18H22FNO4S |
| Molecular Weight | 367.44 |
| Molecular Weight (Monoisotopic) | 367.1254 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-fluoroEMATE |
| Smiles | C[C@]12CC[C@@H]3c4cc(F)c(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O |
| Inchi | InChI=1S/C18H22FNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/m0/s1 |
| Inchi Key | HRICESCEKKGRKZ-JPVZDGGYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 0.97 |
| Records Key | ['12, 2-fluoroEMATE'] |
| Records Name | ['2-Fluoroestrone-3-O-sulfamate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
