Compound Information | SONAR Target prediction | Name: | ESTRONE ACETATE | Unique Identifier: | SPE01501181 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 288.212 g/mol | X log p: | 6.162 (online calculus) | Lipinksi Failures | 1 | TPSA | 43.37 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 3 | Rotatable Bond Count: | 2 | Canonical Smiles: | CC(=O)Oc1ccc2C3CCC4(C)C(CCC4=O)C3CCc2c1 | Source: | semisynthetic | Therapeutics: | estrogen |
Species: |
4932 |
Condition: |
RGP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.3621±0.00777817 |
Normalized OD Score: sc h |
0.8076±0.0116055 |
Z-Score: |
-5.0263±0.369991 |
p-Value: |
0.00000100766 |
Z-Factor: |
0.232825 |
Fitness Defect: |
13.8079 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 1|G3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.00 Celcius | Date: | 2008-06-26 YYYY-MM-DD | Plate CH Control (+): | 0.04045±0.00044 | Plate DMSO Control (-): | 0.41855±0.01536 | Plate Z-Factor: | 0.8554 |
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DBLink | Rows returned: 5 | |
3273 |
(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate |
92846 |
[(8S,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate |
636639 |
[(8S,9S,13R,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate |
6710671 |
[(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate |
6918971 |
[(8S,9R,13S,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 13348 | Additional Members: 15 | Rows returned: 2 | |
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