| Compound Information | SONAR Target prediction | | Name: | CRESOPYRINE | | Unique Identifier: | SPE01401414 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 184.105 g/mol | | X log p: | 5.436 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 43.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CC(=O)Oc1c(C)cccc1C(O)=O | | Source: | synthetic | | Therapeutics: | antiinflammatory, antpyretic |
| Species: |
4932 |
| Condition: |
SAC3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4559±0.0398101 |
| Normalized OD Score: sc h |
0.9806±0.0274465 |
| Z-Score: |
-0.4654±0.864414 |
| p-Value: |
0.582858 |
| Z-Factor: |
-6.74026 |
| Fitness Defect: |
0.5398 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.60 Celcius | | Date: | 2008-05-16 YYYY-MM-DD | | Plate CH Control (+): | 0.0403±0.00062 | | Plate DMSO Control (-): | 0.44310000000000005±0.01341 | | Plate Z-Factor: | 0.8934 |
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ps
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| DBLink | Rows returned: 2 | |
| 78094 |
2-acetyloxy-3-methyl-benzoic acid |
| 6918960 |
2-acetyloxy-3-methyl-benzoate |
| internal high similarity DBLink | Rows returned: 3 | |
| nonactive | Cluster 15454 | Additional Members: 4 | Rows returned: 1 | |
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