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: |
VID30 |
Replicates: |
2 |
Raw OD Value: r im |
0.6463±0.0053033 |
Normalized OD Score: sc h |
0.9857±0.00982607 |
Z-Score: |
-0.6895±0.457541 |
p-Value: |
0.512696 |
Z-Factor: |
-10.8645 |
Fitness Defect: |
0.6681 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 23|G7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.40 Celcius | Date: | 2007-12-05 YYYY-MM-DD | Plate CH Control (+): | 0.04095±0.00052 | Plate DMSO Control (-): | 0.644775±0.01820 | Plate Z-Factor: | 0.9134 |
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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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