| Compound Information | SONAR Target prediction | | Name: | ASPIRIN | | Unique Identifier: | SPE01500130 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C9H8O4 | | Molecular Weight: | 172.094 g/mol | | X log p: | (online calculus) | | Lipinksi Failures | | | TPSA | | | Hydrogen Bond Donor Count: | | | Hydrogen Bond Acceptors Count: | | | Rotatable Bond Count: | | | Canonical Smiles: | CC(=O)Oc1ccccc1C(O)=O | | Source: | synthetic | | Therapeutics: | analgesic, antipyretic, antiinflammatory |
| Species: |
4932 |
| Condition: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7282±0.00544472 |
| Normalized OD Score: sc h |
1.0138±0.000594271 |
| Z-Score: |
0.7338±0.0156923 |
| p-Value: |
0.463112 |
| Z-Factor: |
-1.77508 |
| Fitness Defect: |
0.7698 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 8|F5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.00 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.040275±0.00088 | | Plate DMSO Control (-): | 0.716475±0.01206 | | Plate Z-Factor: | 0.9368 |
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| DBLink | Rows returned: 0 | |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 4626 | Additional Members: 9 | Rows returned: 1 | |
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