| Compound Information | SONAR Target prediction | | Name: | S(+)-Isoproterenol (+)-bitartrate | | Unique Identifier: | LOPAC 00115 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C15H23NO9 | | Molecular Weight: | 339.17 g/mol | | X log p: | 6.006 (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)NCC(O)c1ccc(O)c(O)c1.OC(C(O)C(O)=O)C(O)=O | | Class: | Adrenoceptor | | Selectivity: | beta |
| Species: |
4932 |
| Condition: |
CIN2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8197±0.0053033 |
| Normalized OD Score: sc h |
1.0004±0.00230215 |
| Z-Score: |
0.0360±0.177987 |
| p-Value: |
0.89991 |
| Z-Factor: |
-17.9133 |
| Fitness Defect: |
0.1055 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 9|B4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.00 Celcius | | Date: | 2005-12-07 YYYY-MM-DD | | Plate CH Control (+): | 0.039025000000000004±0.00131 | | Plate DMSO Control (-): | 0.805025±0.00941 | | Plate Z-Factor: | 0.9607 |
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| DBLink | Rows returned: 5 | |
| 26792 |
2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
| 160420 |
(2R,3R)-2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
| 2724018 |
(2R,3R)-2,3-dihydroxybutanedioic acid; 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
| 6604115 |
(2R,3S)-2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
| 6852409 |
2,3-dihydroxybutanedioic acid; 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 1040 | Additional Members: 10 | Rows returned: 1 | |
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