Bioactive Compound Details
| BioID | bio200164 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL389819 |
| Molecular Formula | C22H32O2 |
| Molecular Weight | 328.5 |
| Molecular Weight (Monoisotopic) | 328.2402 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Tert-Butylestradiol |
| Smiles | CC(C)(C)c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 |
| Inchi | InChI=1S/C22H32O2/c1-21(2,3)18-12-16-13(11-19(18)23)5-6-15-14(16)9-10-22(4)17(15)7-8-20(22)24/h11-12,14-15,17,20,23-24H,5-10H2,1-4H3/t14-,15+,17-,20-,22-/m0/s1 |
| Inchi Key | FSKKZSCXFQFEOO-HXMMLABLSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.98 |
| Records Key | ['10'] |
| Records Name | ['2-tert-butylestradiol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
