| Compound Information | SONAR Target prediction | | Name: | (±)-Metoprolol (+)-tartrate | | Unique Identifier: | LOPAC 01051 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C34H56N2O12 | | Molecular Weight: | 628.37 g/mol | | X log p: | 8.307 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 18.46 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 9 | | Canonical Smiles: | COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.OC(C(O)C(O)=O)
C(O)=O | | Class: | Adrenoceptor | | Action: | Antagonist | | Selectivity: | beta1 |
| Species: |
4932 |
| Condition: |
KRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6231±0.00523259 |
| Normalized OD Score: sc h |
0.9902±0.00260016 |
| Z-Score: |
-0.4152±0.0961191 |
| p-Value: |
0.678696 |
| Z-Factor: |
-9.22055 |
| Fitness Defect: |
0.3876 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 10|A9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.90 Celcius | | Date: | 2005-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.0388±0.00411 | | Plate DMSO Control (-): | 0.616575±0.01314 | | Plate Z-Factor: | 0.9242 |
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| DBLink | Rows returned: 6 | |
| 41860 |
(2R,3R)-2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| 441308 |
(2R,3R)-2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| 5702086 |
2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| 6420057 |
2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| 6604132 |
(2S,3R)-2,3-dihydroxybutanedioic acid;
(2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| 15991597 |
(2S,3S)-2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 7246 | Additional Members: 18 | Rows returned: 1 | |
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