Compound Information | SONAR Target prediction | Name: | ESTRADIOL CYPIONATE | Unique Identifier: | SPE01500283 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 360.276 g/mol | X log p: | 7.388 (online calculus) | Lipinksi Failures | 1 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 3 | Rotatable Bond Count: | 5 | Canonical Smiles: | CC12CCC3C(CCc4cc(O)ccc34)C1CCC2OC(=O)CCC1CCCC1 | Source: | semisynthetic | Therapeutics: | estrogen |
Species: |
4932 |
Condition: |
CLN2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7750±0.0110309 |
Normalized OD Score: sc h |
1.0113±0.00243577 |
Z-Score: |
-0.5441±0.136709 |
p-Value: |
0.588116 |
Z-Factor: |
-13.281 |
Fitness Defect: |
0.5308 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 2|H2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2010-08-10 YYYY-MM-DD | Plate CH Control (+): | 0.08725±0.00655 | Plate DMSO Control (-): | 0.9017499999999999±0.02161 | Plate Z-Factor: | 0.8911 |
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67083 |
[(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] 2-cyclooctylacetate |
67100 |
[(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] octadecanoate |
85808 |
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) cyclohexanecarboxylate |
111095 |
[(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] hexadecanoate |
3246017 |
[(8R,9R,13S,14R,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] 3-cyclopentylpropanoate |
3590886 |
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) heptanoate |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 13982 | Additional Members: 12 | Rows returned: 4 | |
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