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: |
VBA3 |
Replicates: |
2 |
Raw OD Value: r im |
0.6732±0.0079196 |
Normalized OD Score: sc h |
0.9966±0.00739436 |
Z-Score: |
-0.1758±0.387065 |
p-Value: |
0.787542 |
Z-Factor: |
-200.706 |
Fitness Defect: |
0.2388 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 25|H3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.30 Celcius | Date: | 2008-03-12 YYYY-MM-DD | Plate CH Control (+): | 0.04195±0.00069 | Plate DMSO Control (-): | 0.668525±0.01830 | Plate Z-Factor: | 0.9062 |
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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 | |
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