| Compound Information | SONAR Target prediction | | Name: | Alfadolone acetate | | Unique Identifier: | Prest1189 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C23H34O5 | | Molecular Weight: | 360.275 g/mol | | X log p: | -0.802 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 60.44 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(=O)OCC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C |
| Species: |
9606 |
| Condition: |
TMPPre002 |
| Replicates: |
2 |
| Raw OD Value: r im |
6625.5000±0 |
| Normalized OD Score: sc h |
1.1490±0 |
| Z-Score: |
3.3582±0 |
| p-Value: |
0.000784514 |
| Z-Factor: |
-7.53097 |
| Fitness Defect: |
7.1504 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 13|E2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.50 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 727.5±605.08760 | | Plate DMSO Control (-): | 773±261.27974 | | Plate Z-Factor: | -83.4256 |
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ps
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| DBLink | Rows returned: 4 | |
| 24732 |
(3R,5S,8S,9S,10S,13R,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetrad
ecahydrocyclopenta[a]phenanthren-11-one;
[2-[(3R,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetra
decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 24733 |
[2-[(3R,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetra
decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 91061 |
[2-(3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanth
ren-17-yl)-2-oxo-ethyl] acetate |
| 6604376 |
[2-[(3S,5S,8R,9R,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetra
decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 7027 | Additional Members: 5 | Rows returned: 4 | |
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