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: |
TRK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.4827±0.00749533 |
Normalized OD Score: sc h |
1.0252±0.0356149 |
Z-Score: |
0.7686±1.09116 |
p-Value: |
0.560588 |
Z-Factor: |
-4.9333 |
Fitness Defect: |
0.5788 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 18|B5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.70 Celcius | Date: | 2008-03-14 YYYY-MM-DD | Plate CH Control (+): | 0.0402±0.00032 | Plate DMSO Control (-): | 0.46295±0.02646 | Plate Z-Factor: | 0.7886 |
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4103527 |
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) octadecanoate |
4474060 |
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) undecanoate |
4630920 |
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) 3-cyclohexylpropanoate |
5702051 |
[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate |
6713666 |
[(8R,9R,13R,14R,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] 3-cyclopentylpropanoate |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 13982 | Additional Members: 12 | Rows returned: 4 | |
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