Compound Information | SONAR Target prediction | Name: | BUCLADESINE | Unique Identifier: | SPE01503043 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 445.195 g/mol | X log p: | 2.342 (online calculus) | Lipinksi Failures | 1 | TPSA | 138.26 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 13 | Rotatable Bond Count: | 9 | Canonical Smiles: | CCCC(=O)Nc1ncnc2n(cnc12)C1OC2COP(O)(=O)OC2C1OC(=O)CCC | Source: | synthetic | Therapeutics: | vasodilator |
Species: |
4932 |
Condition: |
APC9 |
Replicates: |
2 |
Raw OD Value: r im |
0.7120±0.0013435 |
Normalized OD Score: sc h |
1.0110±0.00299622 |
Z-Score: |
0.5997±0.171815 |
p-Value: |
0.551626 |
Z-Factor: |
-5.43268 |
Fitness Defect: |
0.5949 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 14|D5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.30 Celcius | Date: | 2007-11-22 YYYY-MM-DD | Plate CH Control (+): | 0.04165±0.00407 | Plate DMSO Control (-): | 0.690325±0.01712 | Plate Z-Factor: | 0.9138 |
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2460 |
[8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non-9-yl] butanoate |
3029 |
[8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non-9-yl] butanoate |
9687 |
[(1R,6R,8R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0 ]non-9-yl] butanoate |
167813 |
sodium [(1R,6R,8R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]n on-9-yl] butanoate |
2724338 |
sodium [(1R,6R,7R,8R)-8-[6-(butanoylamino)purin-9-yl]-4-oxido-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]n on-7-yl] butanoate hydrate |
5702210 |
[(1R,6R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]no n-9-yl] butanoate |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 11040 | Additional Members: 3 | Rows returned: 0 | |
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