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: |
BCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.9065±0.0246073 |
Normalized OD Score: sc h |
1.0076±0.00835649 |
Z-Score: |
0.1529±0.160598 |
p-Value: |
0.879286 |
Z-Factor: |
-6.76308 |
Fitness Defect: |
0.1286 |
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 (+): | 0.09300000000000001±0.00526 | Plate DMSO Control (-): | 0.94575±0.01308 | Plate Z-Factor: | 0.9370 |
| png ps pdf |
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 | |
|