| Compound Information | SONAR Target prediction | | Name: | 3-deazaadenosine | | Unique Identifier: | LOPAC 00858 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C10H12N4O4 | | Molecular Weight: | 240.132 g/mol | | X log p: | 5.389 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 49.55 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 8 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | OCC1OC(C(O)C1O)n1cnc2cncnc12 | | Class: | Immune System | | Action: | Inhibitor |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6868±0.0185262 |
| Normalized OD Score: sc h |
0.9566±0.0106725 |
| Z-Score: |
-1.1776±0.197831 |
| p-Value: |
0.24354 |
| Z-Factor: |
-8.08662 |
| Fitness Defect: |
1.4125 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 6|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2005-11-15 YYYY-MM-DD | | Plate CH Control (+): | 0.038525000000000004±0.00122 | | Plate DMSO Control (-): | 0.7283±0.03675 | | Plate Z-Factor: | 0.8247 |
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ps
pdf |
| 68368 |
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol |
| 248425 |
2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol |
| 638281 |
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol |
| 6541016 |
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol |
| 6603825 |
(2S,3S,4S,5R)-2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol |
| 6713051 |
(2S,3S,4R,5S)-2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 16028 | Additional Members: 4 | Rows returned: 0 | |
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