| BioID | bio197083 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL242428 |
|---|
| 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-N-Butylestradiol |
|---|
| Smiles | CCCCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 |
|---|
| Inchi | InChI=1S/C22H32O2/c1-3-4-5-15-12-18-14(13-20(15)23)6-7-17-16(18)10-11-22(2)19(17)8-9-21(22)24/h12-13,16-17,19,21,23-24H,3-11H2,1-2H3/t16-,17+,19-,21-,22-/m0/s1 |
|---|
| Inchi Key | ZWOYTFHYZDNSHZ-KOLYYURTSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 12.0 |
|---|
| Bioactivities | 14.0 |
|---|
| Np Likeness Score | 2.0 |
|---|
| Records Key | ['11c', '24'] |
|---|
| Records Name | ['(13S,17S)-2-Butyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-n-butylestradiol'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
