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: |
SMI1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6073±0.0553665 |
Normalized OD Score: sc h |
0.9018±0.0190737 |
Z-Score: |
-2.0532±0.226387 |
p-Value: |
0.0426116 |
Z-Factor: |
-0.220057 |
Fitness Defect: |
3.1556 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 8|G3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.40 Celcius | Date: | 2005-12-20 YYYY-MM-DD | Plate CH Control (+): | 0.038775000000000004±0.00221 | Plate DMSO Control (-): | 0.673625±0.01379 | Plate Z-Factor: | 0.9421 |
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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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