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Compound InformationSONAR Target prediction
Name:

Ketotifen fumarate

Unique Identifier:LOPAC 00997
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H23NO5S
Molecular Weight:402.316 g/mol
X log p:12.903  (online calculus)
Lipinksi Failures1
TPSA45.61
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CN1CCC(CC1)=C1c2ccccc2CC(=O)c2sccc21.OC(=O)C=CC(O)=O
Class:Histamine
Action:Antagonist
Selectivity:HRH1

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.5161±0.092649
Normalized OD Score: sc h 0.9861±0.038262
Z-Score: -0.2266±0.947844
p-Value: 0.622938
Z-Factor: -4.81417
Fitness Defect: 0.4733
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:9|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.04548750000000001±0.00078
Plate DMSO Control (-):0.6740250000000001±0.13070
Plate Z-Factor:0.0944
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DBLink | Rows returned: 2
36856
5282408

internal high similarity DBLink | Rows returned: 1
SPE01500668 1.0000

active | Cluster 4311 | Additional Members: 10 | Rows returned: 2
SPE01501114 0.571428571428571
SPE01505003 0.46875

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