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: |
HHF1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6862±0.0294864 |
Normalized OD Score: sc h |
1.0076±0.025007 |
Z-Score: |
0.3571±1.09792 |
p-Value: |
0.46603 |
Z-Factor: |
-10.4571 |
Fitness Defect: |
0.7635 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 24|D8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.70 Celcius | Date: | 2008-04-15 YYYY-MM-DD | Plate CH Control (+): | 0.040475±0.00058 | Plate DMSO Control (-): | 0.670975±0.01965 | Plate Z-Factor: | 0.8794 |
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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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