| Compound Information | SONAR Target prediction | | Name: | ADRENALINE BITARTRATE | | Unique Identifier: | SPE01500274 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 314.14 g/mol | | X log p: | 6.314 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CNCC(O)c1ccc(O)c(O)c1.OC(C(O)C(O)=O)C(O)=O | | Class: | alkaloid | | Source: | Portulaca grandiflora | | Therapeutics: | adrenergic agonist, bronchodilator, antiglaucoma agent |
| Species: |
4932 |
| Condition: |
QCR8 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6643±0.00848528 |
| Normalized OD Score: sc h |
1.0093±0.00669499 |
| Z-Score: |
0.3822±0.276029 |
| p-Value: |
0.707646 |
| Z-Factor: |
-12.8161 |
| Fitness Defect: |
0.3458 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 18|B2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.90 Celcius | | Date: | 2008-04-25 YYYY-MM-DD | | Plate CH Control (+): | 0.039775000000000005±0.00092 | | Plate DMSO Control (-): | 0.63915±0.01446 | | Plate Z-Factor: | 0.9351 |
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| DBLink | Rows returned: 5 | |
| 5815 |
(2R,3R)-2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol |
| 89249 |
(2R,3R)-2,3-dihydroxybutanedioic acid; 4-(1-hydroxy-2-methylamino-ethyl)benzene-1,2-diol |
| 5702049 |
2,3-dihydroxybutanedioic acid; 4-[(1S)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol |
| 6604103 |
(2R,3S)-2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol |
| 6852374 |
2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 1040 | Additional Members: 10 | Rows returned: 1 | |
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