| 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: |
MT2481-pdr1pdr3-2nd |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4984±0.0179605 |
| Normalized OD Score: sc h |
0.8736±0.0173282 |
| Z-Score: |
-5.3196±0.789311 |
| p-Value: |
0.000000962832 |
| Z-Factor: |
0.0693939 |
| Fitness Defect: |
13.8534 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 7|A11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.60 Celcius | | Date: | 2008-08-22 YYYY-MM-DD | | Plate CH Control (+): | 0.039975±0.00068 | | Plate DMSO Control (-): | 0.5604±0.01228 | | Plate Z-Factor: | 0.9081 |
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ps
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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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