Compound Information | SONAR Target prediction | Name: | PRISTIMEROL | Unique Identifier: | SPE01504207 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C30H42O4 | Molecular Weight: | 424.319 g/mol | X log p: | 4.738 (online calculus) | Lipinksi Failures | 0 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 2 | Canonical Smiles: | COC(=O)C1(C)CCC2(C)CCC3(C)C4=CCc5c(C)c(O)c(O)cc5C4(C)CCC3(C)C2C1 | Source: | derivative of pristimerin |
Species: |
4932 |
Condition: |
CIN8 |
Replicates: |
2 |
Raw OD Value: r im |
0.7843±0.0171827 |
Normalized OD Score: sc h |
0.9909±0.00232572 |
Z-Score: |
-0.4927±0.119793 |
p-Value: |
0.623492 |
Z-Factor: |
-15.2179 |
Fitness Defect: |
0.4724 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 8|G3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.90 Celcius | Date: | 2006-02-24 YYYY-MM-DD | Plate CH Control (+): | 0.0416±0.00301 | Plate DMSO Control (-): | 0.77275±0.02426 | Plate Z-Factor: | 0.9668 |
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DBLink | Rows returned: 1 | |
6708798 |
methyl (2R,4aR,6aS,6aR,14aS)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picen e-2-carboxylate |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 3682 | Additional Members: 3 | Rows returned: 1 | |
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