Compound Information | SONAR Target prediction | Name: | ENOXOLONE | Unique Identifier: | SPE01500990 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 425.327 g/mol | X log p: | -0.225 (online calculus) | Lipinksi Failures | 0 | TPSA | 34.14 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 1 | Canonical Smiles: | CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC21C)C(O)=O | Class: | triterpene | Source: | derivative | Therapeutics: | antitussive, antiinflammatory, antibacterial |
Species: |
4932 |
Condition: |
SPE00240740 |
Replicates: |
2 |
Raw OD Value: r im |
0.5755±0.0154149 |
Normalized OD Score: sc h |
0.9751±0.00704191 |
Z-Score: |
-1.0639±0.238793 |
p-Value: |
0.29422 |
Z-Factor: |
-6.14362 |
Fitness Defect: |
1.2234 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SpectrumTMP | Plate Number and Position: | 2|C3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 22.60 Celcius | Date: | 2006-11-29 YYYY-MM-DD | Plate CH Control (+): | 0.038849999999999996±0.00172 | Plate DMSO Control (-): | 0.5997250000000001±0.02123 | Plate Z-Factor: | 0.9317 |
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7314290 |
(1S,3aS,4S,5S,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-5-[(1R)-1-methyl-4-oxo-1-cyclohex-2-enyl]-1,2, 3,3a,4,5,6,7-octahydroindene-4-carboxylic acid |
7314291 |
(1S,3aS,4S,5S,7aR)-7a-methyl-1-[(2S)-6-methylheptan-2-yl]-5-[(1R)-1-methyl-4-oxo-1-cyclohex-2-enyl]-1,2, 3,3a,4,5,6,7-octahydroindene-4-carboxylate |
7314292 |
(1S,3aS,4S,5S,7aR)-7a-methyl-1-[(2S)-6-methylheptan-2-yl]-5-[(1R)-1-methyl-4-oxo-1-cyclohex-2-enyl]-1,2, 3,3a,4,5,6,7-octahydroindene-4-carboxylic acid |
7314293 |
(1R,3aS,4S,5S,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-5-[(1R)-1-methyl-4-oxo-1-cyclohex-2-enyl]-1,2, 3,3a,4,5,6,7-octahydroindene-4-carboxylate |
7314294 |
(1R,3aS,4S,5S,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-5-[(1R)-1-methyl-4-oxo-1-cyclohex-2-enyl]-1,2, 3,3a,4,5,6,7-octahydroindene-4-carboxylic acid |
7314295 |
(1R,3aS,4S,5S,7aR)-7a-methyl-1-[(2S)-6-methylheptan-2-yl]-5-[(1R)-1-methyl-4-oxo-1-cyclohex-2-enyl]-1,2, 3,3a,4,5,6,7-octahydroindene-4-carboxylate |
internal high similarity DBLink | Rows returned: 13 | 1 2 3 Next >> |
active | Cluster 6100 | Additional Members: 5 | Rows returned: 1 | |
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