Compound Information | SONAR Target prediction | Name: | ESTRONE BENZOATE | Unique Identifier: | SPE00307123 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 348.266 g/mol | X log p: | 16.543 (online calculus) | Lipinksi Failures | 1 | TPSA | 43.37 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 3 | Rotatable Bond Count: | 3 | Canonical Smiles: | CC12CCC3C(CCc4cc(OC(=O)c5ccccc5)ccc34)C1CCC2=O | Source: | semisynthetic |
Species: |
4932 |
Condition: |
CLB2 |
Replicates: |
2 |
Raw OD Value: r im |
0.6795±0.00438406 |
Normalized OD Score: sc h |
1.0096±0.00579521 |
Z-Score: |
0.5569±0.346531 |
p-Value: |
0.588894 |
Z-Factor: |
-7.1822 |
Fitness Defect: |
0.5295 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|H3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.00 Celcius | Date: | 2007-11-02 YYYY-MM-DD | Plate CH Control (+): | 0.041475±0.00049 | Plate DMSO Control (-): | 0.661825±0.01288 | Plate Z-Factor: | 0.9281 |
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DBLink | Rows returned: 2 | |
16963 |
(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) benzoate |
6710682 |
[(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 13348 | Additional Members: 15 | Rows returned: 3 | |
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