| Compound Information | SONAR Target prediction | | Name: | DIOXYBENZONE | | Unique Identifier: | SPE01500255 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 232.147 g/mol | | X log p: | 15.527 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | COc1ccc(c(O)c1)C(=O)c1ccccc1O | | Source: | synthetic | | Therapeutics: | ultraviolet screen |
| Species: |
4932 |
| Condition: |
NAT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6280±0.00572756 |
| Normalized OD Score: sc h |
0.8931±0.000731675 |
| Z-Score: |
-6.3543±0.246552 |
| p-Value: |
0.00000000035381 |
| Z-Factor: |
0.412475 |
| Fitness Defect: |
21.7623 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 18|A3 | | 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 |
|  png
ps
pdf |
| DBLink | Rows returned: 3 | |
| 8569 |
(2-hydroxy-4-methoxy-phenyl)-(2-hydroxyphenyl)methanone |
| 8570 |
bis(2-hydroxy-4-methoxy-phenyl)methanone |
| 81876 |
(2,4-dihydroxyphenyl)-(2-hydroxy-4-methoxy-phenyl)methanone |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 15651 | Additional Members: 8 | Rows returned: 2 | |
|
