Compound Information | SONAR Target prediction | Name: | ESTRADIOL VALERATE | Unique Identifier: | SPE01500284 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 324.244 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: | 5 | Canonical Smiles: | CCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C | Source: | semisynthetic | Therapeutics: | estrogen |
Species: |
4932 |
Condition: |
MDH1 |
Replicates: |
2 |
Raw OD Value: r im |
0.7895±0.0209304 |
Normalized OD Score: sc h |
1.0107±0.00969143 |
Z-Score: |
0.5820±0.485859 |
p-Value: |
0.583078 |
Z-Factor: |
-8.95398 |
Fitness Defect: |
0.5394 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 12|A8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.00 Celcius | Date: | 2007-08-07 YYYY-MM-DD | Plate CH Control (+): | 0.0407±0.00130 | Plate DMSO Control (-): | 0.7637499999999999±0.02024 | Plate Z-Factor: | 0.9275 |
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DBLink | Rows returned: 6 | |
3267 |
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) pentanoate |
13791 |
[(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] pentanoate |
163332 |
[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate |
6572584 |
[(8R,9S,13R,14R,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] pentanoate |
7002644 |
[(8S,9S,13S,14R,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] pentanoate |
7060996 |
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] pentanoate |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 13982 | Additional Members: 12 | Rows returned: 3 | |
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