Compound Information | SONAR Target prediction | Name: | 3-ACETOXYPREGN-16-EN-12,20-DIONE | Unique Identifier: | SPE00100580 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 341.252 g/mol | X log p: | 1.777 (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)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)C(=O)CC32)C1 | Source: | derivative |
Species: |
4932 |
Condition: |
BNI4 |
Replicates: |
2 |
Raw OD Value: r im |
0.6261±0.0181019 |
Normalized OD Score: sc h |
0.9884±0.00338532 |
Z-Score: |
-0.3545±0.0766412 |
p-Value: |
0.72338 |
Z-Factor: |
-4.93987 |
Fitness Defect: |
0.3238 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|D5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.50 Celcius | Date: | 2006-03-22 YYYY-MM-DD | Plate CH Control (+): | 0.039±0.00030 | Plate DMSO Control (-): | 0.6293±0.01735 | Plate Z-Factor: | 0.9108 |
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DBLink | Rows returned: 2 | |
4521655 |
(17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate |
6708548 |
[(3S,5S,10S,13S)-17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phen anthren-3-yl] acetate |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 11313 | Additional Members: 1 | Rows returned: 0 | |
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