| Compound Information | SONAR Target prediction | | Name: | DIPYROCETYL | | Unique Identifier: | SPE01503032 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C11H10O6 | | Molecular Weight: | 228.114 g/mol | | X log p: | 5.365 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 69.67 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(=O)Oc1cccc(C(O)=O)c1OC(C)=O | | Reference: | Bul Chem Soc Japan 16: 284 (1941) | | Therapeutics: | antirheumatic, analgesic |
| Species: |
4932 |
| Condition: |
MCK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6130±0.00106066 |
| Normalized OD Score: sc h |
1.0213±0.00518328 |
| Z-Score: |
0.9140±0.291526 |
| p-Value: |
0.37084 |
| Z-Factor: |
-2.66735 |
| Fitness Defect: |
0.992 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 13|C6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.50 Celcius | | Date: | 2007-11-13 YYYY-MM-DD | | Plate CH Control (+): | 0.039325±0.00059 | | Plate DMSO Control (-): | 0.591125±0.01412 | | Plate Z-Factor: | 0.9201 |
|  png
ps
pdf |
| DBLink | Rows returned: 1 | |
| 68093 |
2,3-diacetyloxybenzoic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 15454 | Additional Members: 4 | Rows returned: 1 | |
|
