| 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: |
SPE00100719 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6484±0.0366281 |
| Normalized OD Score: sc h |
1.0054±0.0117515 |
| Z-Score: |
0.2688±0.533219 |
| p-Value: |
0.716094 |
| Z-Factor: |
-15.6406 |
| Fitness Defect: |
0.3339 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 2|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.90 Celcius | | Date: | 2006-12-15 YYYY-MM-DD | | Plate CH Control (+): | 0.039475±0.00218 | | Plate DMSO Control (-): | 0.658±0.03066 | | Plate Z-Factor: | 0.8465 |
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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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