Compound Information | SONAR Target prediction | Name: | 1,7-Dimethylxanthine | Unique Identifier: | LOPAC 00004 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C7H8N4O2 | Molecular Weight: | 172.101 g/mol | X log p: | 1.673 (online calculus) | Lipinksi Failures | 0 | TPSA | 52.98 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 6 | Rotatable Bond Count: | 0 | Canonical Smiles: | Cn1cnc2NC(=O)N(C)C(=O)c12 | Class: | Adenosine | Action: | Antagonist | Selectivity: | A1 > A2 |
Species: |
4932 |
Condition: |
NOP16 |
Replicates: |
2 |
Raw OD Value: r im |
0.7276±0.0113137 |
Normalized OD Score: sc h |
1.0137±0.0138962 |
Z-Score: |
0.6020±0.574035 |
p-Value: |
0.57901 |
Z-Factor: |
-9.00661 |
Fitness Defect: |
0.5464 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 5|G10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 0.00 Celcius | Date: | 2005-04-22 YYYY-MM-DD | Plate CH Control (+): | 0.044774999999999995±0.00083 | Plate DMSO Control (-): | 0.7000500000000001±0.03241 | Plate Z-Factor: | 0.8729 |
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DBLink | Rows returned: 1 | |
4687 |
1,7-dimethyl-3H-purine-2,6-dione |
internal high similarity DBLink | Rows returned: 5 | |
nonactive | Cluster 11665 | Additional Members: 2 | Rows returned: 1 | |
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