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Compound InformationSONAR 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 Failures1
TPSA51.75
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

Found: 16 nonactive | as graph: single | with analogs << Back 11 12 13 14 15 16 Next >> 
Species: 4932
Condition: SAP30
Replicates: 2
Raw OD Value: r im 0.8030±0.00692965
Normalized OD Score: sc h 0.9847±0.000390778
Z-Score: -1.3227±0.118321
p-Value: 0.187476
Z-Factor: -1.91001
Fitness Defect: 1.6741
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:16|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2005-11-18 YYYY-MM-DD
Plate CH Control (+):0.039±0.00152
Plate DMSO Control (-):0.78965±0.01486
Plate Z-Factor:0.9342
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DBLink | Rows returned: 1
6604045

internal high similarity DBLink | Rows returned: 0

active | Cluster 7793 | Additional Members: 6 | Rows returned: 4
LAT004C08 0.55
LAT003A10 0
LOPAC 00038 0
SPE01500220 0

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