| Compound Information | SONAR Target prediction | | Name: | ESTRONE ACETATE | | Unique Identifier: | SPE01501181 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 288.212 g/mol | | X log p: | 6.162 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 43.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC(=O)Oc1ccc2C3CCC4(C)C(CCC4=O)C3CCc2c1 | | Source: | semisynthetic | | Therapeutics: | estrogen |
| Species: |
4932 |
| Condition: |
TOP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2665±0.00671751 |
| Normalized OD Score: sc h |
0.7186±0.00160502 |
| Z-Score: |
-2.4485±0.167247 |
| p-Value: |
0.0150274 |
| Z-Factor: |
-1.81058 |
| Fitness Defect: |
4.1979 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 15|B6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2006-04-25 YYYY-MM-DD | | Plate CH Control (+): | 0.038425±0.00160 | | Plate DMSO Control (-): | 0.36315000000000003±0.07722 | | Plate Z-Factor: | 0.2064 |
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| DBLink | Rows returned: 5 | |
| 3273 |
(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate |
| 92846 |
[(8S,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]
acetate |
| 636639 |
[(8S,9S,13R,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]
acetate |
| 6710671 |
[(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate |
| 6918971 |
[(8S,9R,13S,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]
acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 13348 | Additional Members: 15 | Rows returned: 2 | |
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