| Compound Information | SONAR Target prediction | | Name: | Bucladesine Sodium Salt | | Unique Identifier: | LAT007H04 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C18H23N5NaO8P | | Molecular Weight: | 468.185 g/mol | | X log p: | 2.342 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 161.32 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 13 | | Rotatable Bond Count: | 10 | | Canonical Smiles: | [Na+].[O-]P1(=O)OC2C(COC(=O)CCC)OC(C2O1)n1cnc2c(NC(=O)CCC)ncnc12 |
| Species: |
4932 |
| Condition: |
pdr18h |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6341±0.0149907 |
| Normalized OD Score: sc h |
0.9847±0.00518656 |
| Z-Score: |
-0.2965±0.172697 |
| p-Value: |
0.768566 |
| Z-Factor: |
-3.44779 |
| Fitness Defect: |
0.2632 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | LATCA | | Plate Number and Position: | 7|H4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.50 Celcius | | Date: | 2007-03-08 YYYY-MM-DD | | Plate CH Control (+): | 0.039825±0.00225 | | Plate DMSO Control (-): | 0.6298250000000001±0.01052 | | Plate Z-Factor: | 0.9414 |
|  png
ps
pdf |
| DBLink | Rows returned: 2 | |
| 28177 |
sodium
[(1R,2R,4R,5R)-2-[6-(butanoylamino)purin-9-yl]-7-oxido-7-oxo-3,6,8-trioxa-7$l^{5}-phosphabicyclo[3.3.0]o
ct-4-yl]methyl butanoate |
| 28178 |
[(1R,5R,6R,8R)-6-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[3.3.0
]oct-8-yl]methyl butanoate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 11040 | Additional Members: 3 | Rows returned: 0 | |
|
