| Compound Information | SONAR Target prediction | | Name: | 3,7-Dimethyl-I-propargylxanthine | | Unique Identifier: | LOPAC 00090 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C10H10N4O2 | | Molecular Weight: | 208.133 g/mol | | X log p: | 2.003 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 56.22 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | Cn1cnc2N(C)C(=O)N(CC#C)C(=O)c12 | | Class: | Adenosine | | Action: | Antagonist | | Selectivity: | A2 |
| Species: |
4932 |
| Condition: |
BY4743 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8071±0.240911 |
| Normalized OD Score: sc h |
0.9685±0.0343464 |
| Z-Score: |
-0.8840±0.980865 |
| p-Value: |
0.481816 |
| Z-Factor: |
-4.4817 |
| Fitness Defect: |
0.7302 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 6|C9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 0.00 Celcius | | Date: | 2005-08-19 YYYY-MM-DD | | Plate CH Control (+): | 0.046024999999999996±0.00128 | | Plate DMSO Control (-): | 0.812075±0.02313 | | Plate Z-Factor: | 0.9303 |
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| DBLink | Rows returned: 1 | |
| 99562 |
3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 834 | Additional Members: 4 | Rows returned: 1 | |
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