| Compound Information | SONAR Target prediction | | Name: | HEXYLRESORCINOL | | Unique Identifier: | SPE01500330 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 176.127 g/mol | | X log p: | 6.379 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CCCCCCc1ccc(O)cc1O | | Source: | synthetic | | Therapeutics: | anthelmintic, topical antiseptic |
| Species: |
4932 |
| Condition: |
NAT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6889±0.00707107 |
| Normalized OD Score: sc h |
0.9735±0.00436966 |
| Z-Score: |
-1.5683±0.208766 |
| p-Value: |
0.120791 |
| Z-Factor: |
-2.19966 |
| Fitness Defect: |
2.1137 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 18|D9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.60 Celcius | | Date: | 2008-06-26 YYYY-MM-DD | | Plate CH Control (+): | 0.0406±0.00066 | | Plate DMSO Control (-): | 0.697925±0.01352 | | Plate Z-Factor: | 0.9383 |
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| DBLink | Rows returned: 2 | |
| 3610 |
4-hexylbenzene-1,3-diol |
| 75055 |
4-cyclohexylbenzene-1,3-diol |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 7311 | Additional Members: 1 | Rows returned: 0 | |
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