| Compound Information | SONAR Target prediction | | Name: | Megestrol acetate | | Unique Identifier: | Prest1168 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C24H32O4 | | Molecular Weight: | 355.278 g/mol | | X log p: | 3.11 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 60.44 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C)C(C)=O |
| Species: |
9606 |
| Condition: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
917.0000±0 |
| Normalized OD Score: sc h |
0.9709±0 |
| Z-Score: |
-0.6567±0 |
| p-Value: |
0.511382 |
| Z-Factor: |
-25.0206 |
| Fitness Defect: |
0.6706 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 12|H7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.30 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 758.5±653.58671 | | Plate DMSO Control (-): | 822.5±277.54018 | | Plate Z-Factor: | -66.6597 |
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ps
pdf |
| 6560404 |
[(8S,9S,10S,13R,14R,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]p
henanthren-17-yl] acetate |
| 6568851 |
[(8S,9R,10S,13S,14R,17S)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[
a]phenanthren-17-yl] acetate |
| 6604274 |
[(8R,9S,10S,13R,14R,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[
a]phenanthren-17-yl] acetate |
| 6710729 |
[(17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-y
l] acetate |
| 6994722 |
[(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]p
henanthren-17-yl] acetate |
| 6995082 |
[(8S,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[
a]phenanthren-17-yl] acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 5652 | Additional Members: 7 | Rows returned: 5 | |
|
