| 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: |
ATP4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6308±0.00671751 |
| Normalized OD Score: sc h |
0.9982±0.00257341 |
| Z-Score: |
-0.0742±0.104005 |
| p-Value: |
0.941048 |
| Z-Factor: |
-128.221 |
| Fitness Defect: |
0.0608 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 23|G7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2008-03-06 YYYY-MM-DD | | Plate CH Control (+): | 0.040624999999999994±0.00181 | | Plate DMSO Control (-): | 0.61435±0.01934 | | Plate Z-Factor: | 0.8705 |
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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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