| 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: |
SEC22 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6229±0.00905097 |
| Normalized OD Score: sc h |
1.0136±0.00219723 |
| Z-Score: |
0.4743±0.0985627 |
| p-Value: |
0.63609 |
| Z-Factor: |
-6.20055 |
| Fitness Defect: |
0.4524 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 21|D10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.30 Celcius | | Date: | 2007-10-16 YYYY-MM-DD | | Plate CH Control (+): | 0.04055±0.00114 | | Plate DMSO Control (-): | 0.60475±0.13972 | | Plate Z-Factor: | 0.1618 |
|  png
ps
pdf |
| 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 | |
|
