| Compound Information | SONAR Target prediction | | Name: | Clemastine fumarate | | Unique Identifier: | Prest680 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C25ClH30NO5 | | Molecular Weight: | 429.724 g/mol | | X log p: | 18.96 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 12.47 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1.OC(=O)C=CC(O)=O |
| Species: |
9606 |
| Condition: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
2028.0000±0 |
| Normalized OD Score: sc h |
1.0209±0 |
| Z-Score: |
0.4707±0 |
| p-Value: |
0.637844 |
| Z-Factor: |
-5.04886 |
| Fitness Defect: |
0.4497 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 4|G7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.70 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 1024±959.34887 | | Plate DMSO Control (-): | 2047±547.49039 | | Plate Z-Factor: | -4.6829 |
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| DBLink | Rows returned: 3 | |
| 26986 |
but-2-enedioic acid; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine |
| 5281069 |
but-2-enedioic acid; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine |
| 6426695 |
(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-2,3,4,5-tetrahydropyrrole;
(E)-4-hydroxy-4-oxo-but-2-enoate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 7676 | Additional Members: 4 | Rows returned: 3 | |
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