| Compound Information | SONAR Target prediction | | Name: | ESTRADIOL ACETATE | | Unique Identifier: | SPE01501184 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 288.212 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: | 2 | | Canonical Smiles: | CC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C | | Source: | semisynthetic | | Therapeutics: | estrogen |
| Species: |
4932 |
| Condition: |
SAC3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3786±0.0376888 |
| Normalized OD Score: sc h |
0.8416±0.0577202 |
| Z-Score: |
-4.6056±1.84325 |
| p-Value: |
0.000479546 |
| Z-Factor: |
-0.736732 |
| Fitness Defect: |
7.6427 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 8|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.00 Celcius | | Date: | 2008-05-16 YYYY-MM-DD | | Plate CH Control (+): | 0.04075±0.00147 | | Plate DMSO Control (-): | 0.425475±0.01437 | | Plate Z-Factor: | 0.8793 |
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ps
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| DBLink | Rows returned: 4 | |
| 66436 |
[(8S,9S,13S,14S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]
acetate |
| 266198 |
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl) acetate |
| 628698 |
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate |
| 6852404 |
[(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-
yl] acetate |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 13982 | Additional Members: 12 | Rows returned: 3 | |
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