| Compound Information | SONAR Target prediction | | Name: | OXYBENZONE | | Unique Identifier: | SPE01500451 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 216.148 g/mol | | X log p: | 17.116 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | COc1ccc(c(O)c1)C(=O)c1ccccc1 | | Source: | synthetic | | Therapeutics: | ultraviolet screen |
| Species: |
4932 |
| Condition: |
SRS2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5834±0.0202233 |
| Normalized OD Score: sc h |
0.8267±0.0155071 |
| Z-Score: |
-8.3979±0.597763 |
| p-Value: |
7.6113e-16 |
| Z-Factor: |
0.350587 |
| Fitness Defect: |
34.8117 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 4|G7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 20.80 Celcius | | Date: | 2008-01-22 YYYY-MM-DD | | Plate CH Control (+): | 0.0417±0.00060 | | Plate DMSO Control (-): | 0.680275±0.01457 | | Plate Z-Factor: | 0.9234 |
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| DBLink | Rows returned: 4 | |
| 4632 |
(2-hydroxy-4-methoxy-phenyl)-phenyl-methanone |
| 10175 |
(2,6-dihydroxy-4-methoxy-phenyl)-phenyl-methanone |
| 96154 |
(2-hydroxy-4-methoxy-phenyl)-(4-methoxyphenyl)methanone |
| 282356 |
(2-hydroxy-4-methoxy-phenyl)-(4-hydroxyphenyl)methanone |
| internal high similarity DBLink | Rows returned: 3 | |
| nonactive | Cluster 9214 | Additional Members: 5 | Rows returned: 2 | |
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