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: |
YPT6 |
Replicates: |
2 |
Raw OD Value: r im |
0.6811±0.00155563 |
Normalized OD Score: sc h |
0.9896±0.00676651 |
Z-Score: |
-0.3441±0.210231 |
p-Value: |
0.733608 |
Z-Factor: |
-19.2124 |
Fitness Defect: |
0.3098 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|H3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.20 Celcius | Date: | 2006-02-22 YYYY-MM-DD | Plate CH Control (+): | 0.0408±0.00226 | Plate DMSO Control (-): | 0.6737±0.01432 | Plate Z-Factor: | 0.9157 |
| png ps pdf |
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 | |
|