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: |
PFK2 |
Replicates: |
2 |
Raw OD Value: r im |
0.4288±0.00763675 |
Normalized OD Score: sc h |
0.9494±0.00854049 |
Z-Score: |
-1.6263±0.296286 |
p-Value: |
0.111476 |
Z-Factor: |
-3.41444 |
Fitness Defect: |
2.1939 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 23|G7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.40 Celcius | Date: | 2008-05-10 YYYY-MM-DD | Plate CH Control (+): | 0.04045±0.00037 | Plate DMSO Control (-): | 0.46262500000000006±0.03006 | Plate Z-Factor: | 0.7601 |
| 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 | |
|