| BioID | bio198156 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL389126 |
|---|
| Molecular Formula | C21H30O2 |
|---|
| Molecular Weight | 314.47 |
|---|
| Molecular Weight (Monoisotopic) | 314.2246 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-N-Propylestradiol |
|---|
| Smiles | CCCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 |
|---|
| Inchi | InChI=1S/C21H30O2/c1-3-4-14-11-17-13(12-19(14)22)5-6-16-15(17)9-10-21(2)18(16)7-8-20(21)23/h11-12,15-16,18,20,22-23H,3-10H2,1-2H3/t15-,16+,18-,20-,21-/m0/s1 |
|---|
| Inchi Key | SNMHUYUZYYNVIH-OKSLILNBSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 60.0 |
|---|
| Bioactivities | 71.0 |
|---|
| Np Likeness Score | 2.05 |
|---|
| Records Key | ['11b', '23', 'SID512124'] |
|---|
| Records Name | ['(13S,17S)-13-Methyl-2-propyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-n-propylestradiol', 'SID512124'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
