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: |
SPE00100009 |
Replicates: |
2 |
Raw OD Value: r im |
0.4140±0.0439113 |
Normalized OD Score: sc h |
0.7200±0.0503218 |
Z-Score: |
-9.6458±2.36919 |
p-Value: |
7.89892e-16 |
Z-Factor: |
-0.188793 |
Fitness Defect: |
34.7746 |
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 (+): | 0.039150000000000004±0.00200 | Plate DMSO Control (-): | 0.60635±0.04215 | Plate Z-Factor: | 0.7720 |
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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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