Compound Information | SONAR Target prediction | Name: | 2,3,29-TRIACETOXY-24-NOR-1,3,5,7-FRIEDELATETRAENE | Unique Identifier: | SPE01504238 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C35H48O6 | Molecular Weight: | 516.371 g/mol | X log p: | 4.721 (online calculus) | Lipinksi Failures | 0 | TPSA | 78.9 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 6 | Rotatable Bond Count: | 7 | Canonical Smiles: | CC(=O)OCC1(C)CCC2(C)CCC3(C)C4=CCc5c(C)c(OC(C)=O)c(OC(C)=O)cc5C4(C)CCC3 (C)C2C1 | Source: | derivative of celastrol |
Species: |
4932 |
Condition: |
MRT4 |
Replicates: |
2 |
Raw OD Value: r im |
0.7273±0.240416 |
Normalized OD Score: sc h |
1.3879±0.532344 |
Z-Score: |
11.5994±15.8083 |
p-Value: |
0.33679 |
Z-Factor: |
-5.13527 |
Fitness Defect: |
1.0883 |
Bioactivity Statement: |
Outlier |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|F11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.10 Celcius | Date: | 2007-08-30 YYYY-MM-DD | Plate CH Control (+): | 0.039599999999999996±0.00041 | Plate DMSO Control (-): | 0.502475±0.09645 | Plate Z-Factor: | 0.1491 |
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DBLink | Rows returned: 1 | |
6708737 |
[(2R,4aR,6aS,6aR,14aS)-10,11-diacetyloxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-pi cen-2-yl]methyl acetate |
internal high similarity DBLink | Rows returned: 0 | |
nonactive | Cluster 3682 | Additional Members: 3 | Rows returned: 2 | |
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