| 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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ps
pdf |
| 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 | |
| active | Cluster 13982 | Additional Members: 12 | Rows returned: 4 | |
|
