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: |
SWI4 |
Replicates: |
2 |
Raw OD Value: r im |
0.5835±0.00968736 |
Normalized OD Score: sc h |
1.0112±0.0147187 |
Z-Score: |
0.4816±0.649079 |
p-Value: |
0.664462 |
Z-Factor: |
-8.03519 |
Fitness Defect: |
0.4088 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 18|B5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.30 Celcius | Date: | 2008-02-07 YYYY-MM-DD | Plate CH Control (+): | 0.042725±0.00146 | Plate DMSO Control (-): | 0.561525±0.01651 | Plate Z-Factor: | 0.8863 |
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3263 |
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) 3-cyclopentylpropanoate |
9403 |
[(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] 3-cyclopentylpropanoate |
19135 |
[(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] undecanoate |
21070 |
[(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] heptanoate |
44380 |
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) octanoate |
66409 |
[(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17- yl] decanoate |
internal high similarity DBLink | Rows returned: 3 | |
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