| Compound Information | SONAR Target prediction | | Name: | 2-Chloroadenosine | | Unique Identifier: | LOPAC 00014 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C10ClH12N5O4 | | Molecular Weight: | 289.591 g/mol | | X log p: | 1.286 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 49.55 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 9 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | Nc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1O | | Class: | Adenosine | | Action: | Agonist | | Selectivity: | A1 > A2 |
| Species: |
4932 |
| Condition: |
MT2481-pdr1pdr3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7041±0.00254558 |
| Normalized OD Score: sc h |
1.0106±0.00476755 |
| Z-Score: |
0.6063±0.309104 |
| p-Value: |
0.55383 |
| Z-Factor: |
-4.09984 |
| Fitness Defect: |
0.5909 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 4|F5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.70 Celcius | | Date: | 2005-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.048424999999999996±0.00114 | | Plate DMSO Control (-): | 0.667875±0.01195 | | Plate Z-Factor: | 0.9299 |
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| DBLink | Rows returned: 4 | |
| 8974 |
(2R,3R,4R,5R)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| 235481 |
2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| 474900 |
(2S,3S,4R,5S)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| 6603778 |
(2R,3R,4R,5S)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 9750 | Additional Members: 25 | Rows returned: 4 | |
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