| Compound Information | SONAR Target prediction | | Name: | Terbutaline hemisulfate | | Unique Identifier: | Prest598 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C24H40N2O10S | | Molecular Weight: | 508.33 g/mol | | X log p: | 5.569 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1.OS(O)(=O)=O |
| Species: |
9606 |
| Condition: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
19151.0000±0 |
| Normalized OD Score: sc h |
1.0323±0 |
| Z-Score: |
0.8995±0 |
| p-Value: |
0.368396 |
| Z-Factor: |
-3.59238 |
| Fitness Defect: |
0.9986 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 5|H2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.80 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 18290±2002.70234 | | Plate DMSO Control (-): | 18264.5±1013.26960 | | Plate Z-Factor: | -63.2184 |
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ps
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| DBLink | Rows returned: 4 | |
| 31620 |
[2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]-tert-butyl-azanium sulfate |
| 441333 |
5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol; sulfuric acid |
| 441334 |
5-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol; sulfuric acid |
| 657301 |
5-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol; sulfuric acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 17428 | Additional Members: 9 | Rows returned: 0 | |
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