| 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: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7126±0.00381838 |
| Normalized OD Score: sc h |
0.9890±0.000407532 |
| Z-Score: |
-0.5871±0.0348201 |
| p-Value: |
0.557248 |
| Z-Factor: |
-3.50862 |
| Fitness Defect: |
0.5847 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.10 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.040124999999999994±0.00056 | | Plate DMSO Control (-): | 0.70205±0.01084 | | Plate Z-Factor: | 0.9501 |
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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 | |
| active | Cluster 15454 | Additional Members: 4 | Rows returned: 0 | |
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