| 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: |
SHM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7831±0.00424264 |
| Normalized OD Score: sc h |
0.9832±0.0104099 |
| Z-Score: |
-0.6301±0.408239 |
| p-Value: |
0.545468 |
| Z-Factor: |
-5.43128 |
| Fitness Defect: |
0.6061 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|G3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.20 Celcius | | Date: | 2006-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.03765±0.00214 | | Plate DMSO Control (-): | 0.78345±0.01483 | | Plate Z-Factor: | 0.9241 |
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ps
pdf |
| 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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