| Compound Information | SONAR Target prediction | | Name: | MRS 2179 | | Unique Identifier: | LOPAC 01046 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C11H23N7O9P2 | | Molecular Weight: | 436.107 g/mol | | X log p: | 0.47 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 167.89 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 14 | | Rotatable Bond Count: | 7 | | Canonical Smiles: | [NH4+].[NH4+].[O-]P(O)(=O)OCC1OC(CC1OP([O-])(O)=O)n1cnc2c(NC)ncnc12 | | Class: | P2 Receptor | | Action: | Antagonist | | Selectivity: | P2Y1 |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6560±0.0203647 |
| Normalized OD Score: sc h |
1.0239±0.00801049 |
| Z-Score: |
0.6463±0.167381 |
| p-Value: |
0.521014 |
| Z-Factor: |
-2.38593 |
| Fitness Defect: |
0.652 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 10|D7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2005-11-15 YYYY-MM-DD | | Plate CH Control (+): | 0.038925±0.02430 | | Plate DMSO Control (-): | 0.667825±0.02097 | | Plate Z-Factor: | 0.6217 |
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| 6604940 |
azane; [(2S,3S,5R)-5-(6-methylaminopurin-9-yl)-3-phosphonooxy-oxolan-2-yl]methoxyphosphonic acid |
| 6604941 |
[(2S,3S,5R)-5-(6-methylaminopurin-9-yl)-3-phosphonooxy-oxolan-2-yl]methoxyphosphonic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 16028 | Additional Members: 4 | Rows returned: 0 | |
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