| Compound Information | SONAR Target prediction | | Name: | ESTRADIOL PROPIONATE | | Unique Identifier: | SPE01501179 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 300.223 g/mol | | X log p: | 7.127 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C | | Source: | semisynthetic | | Therapeutics: | estrogen |
| Species: |
4932 |
| Condition: |
PEP5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6837±0.00106066 |
| Normalized OD Score: sc h |
1.0124±0.00519749 |
| Z-Score: |
0.7114±0.323061 |
| p-Value: |
0.488194 |
| Z-Factor: |
-7.08825 |
| Fitness Defect: |
0.717 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 25|H3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2008-08-14 YYYY-MM-DD | | Plate CH Control (+): | 0.04965±0.00120 | | Plate DMSO Control (-): | 0.669575±0.01445 | | Plate Z-Factor: | 0.9288 |
|  png
ps
pdf |
| DBLink | Rows returned: 3 | |
| 3266 |
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) propanoate |
| 19571 |
[(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-
yl] propanoate |
| 6710670 |
[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]
propanoate |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 13982 | Additional Members: 12 | Rows returned: 3 | |
|
