| Compound Information | SONAR Target prediction | | Name: | WIN 62,577 | | Unique Identifier: | LOPAC 01296 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C28H30N4O | | Molecular Weight: | 409.334 g/mol | | X log p: | 11.371 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 51.75 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CC3=Cn4c(nc5ccccc45)N=C3C=C1CCC1C2CCC2(C)C1CCC2(O)C#N | | Class: | Tachykinin | | Action: | Antagonist | | Selectivity: | NK1 |
| Species: |
4932 |
| Condition: |
MT2481-pdr1pdr3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5538±0.0236881 |
| Normalized OD Score: sc h |
0.8483±0.0129466 |
| Z-Score: |
-8.5256±0.151282 |
| p-Value: |
2.20428e-17 |
| Z-Factor: |
0.456623 |
| Fitness Defect: |
38.3535 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 16|A10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.80 Celcius | | Date: | 2005-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.047±0.00109 | | Plate DMSO Control (-): | 0.63505±0.00899 | | Plate Z-Factor: | 0.9524 |
|  png
ps
pdf |
| DBLink | Rows returned: 1 | |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 7793 | Additional Members: 6 | Rows returned: 4 | |
|
