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: |
IDH2 |
Replicates: |
2 |
Raw OD Value: r im |
0.5863±0.00799031 |
Normalized OD Score: sc h |
1.0090±0.00618148 |
Z-Score: |
0.4568±0.320836 |
p-Value: |
0.656174 |
Z-Factor: |
-8.34573 |
Fitness Defect: |
0.4213 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 13|C6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.30 Celcius | Date: | 2007-10-19 YYYY-MM-DD | Plate CH Control (+): | 0.04055±0.00074 | Plate DMSO Control (-): | 0.575±0.01318 | Plate Z-Factor: | 0.9275 |
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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 | |
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