| Compound Information | SONAR Target prediction | | Name: | Metoprolol-(+,-) (+)-tartrate salt | | Unique Identifier: | Prest1009 | | 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 |
| Species: |
9606 |
| Condition: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
14373.0000±0 |
| Normalized OD Score: sc h |
1.0547±0 |
| Z-Score: |
1.5211±0 |
| p-Value: |
0.128243 |
| Z-Factor: |
-7.53215 |
| Fitness Defect: |
2.0538 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 10|B4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.30 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 22161±7450.25778 | | Plate DMSO Control (-): | 13194±7524.46004 | | Plate Z-Factor: | -6.8985 |
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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: 0 | |
| active | Cluster 7246 | Additional Members: 18 | Rows returned: 1 | |
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