| 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: |
GAS1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4204±0.0854185 |
| Normalized OD Score: sc h |
1.2202±0.00926288 |
| Z-Score: |
2.2016±0.3214 |
| p-Value: |
0.0317462 |
| Z-Factor: |
-0.459463 |
| Fitness Defect: |
3.45 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|H3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.00 Celcius | | Date: | 2006-01-20 YYYY-MM-DD | | Plate CH Control (+): | 0.045225±0.00116 | | Plate DMSO Control (-): | 0.3484±0.03592 | | Plate Z-Factor: | 0.5673 |
|  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 | |
|
