| 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: |
SPE00240740 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3629±0.00968736 |
| Normalized OD Score: sc h |
0.7844±0.00609077 |
| Z-Score: |
-5.1958±0.689009 |
| p-Value: |
0.00000125352 |
| Z-Factor: |
-0.0648292 |
| Fitness Defect: |
13.5896 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 2|D7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 22.50 Celcius | | Date: | 2006-11-29 YYYY-MM-DD | | Plate CH Control (+): | 0.039775000000000005±0.00252 | | Plate DMSO Control (-): | 0.5063±0.03473 | | Plate Z-Factor: | 0.7289 |
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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 | |
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