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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 21 22 23 24 Next >> [24]
Species: 4932
Condition: TEP1
Replicates: 2
Raw OD Value: r im 0.5878±0.00749533
Normalized OD Score: sc h 0.9922±0.00413071
Z-Score: -0.3247±0.216192
p-Value: 0.748266
Z-Factor: -21.7621
Fitness Defect: 0.29
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:9|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-05-17 YYYY-MM-DD
Plate CH Control (+):0.045975±0.00330
Plate DMSO Control (-):0.57445±0.01225
Plate Z-Factor:0.9183
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DBLink | Rows returned: 2
36856
5282408

internal high similarity DBLink | Rows returned: 1
SPE01500668 1.0000

nonactive | Cluster 4311 | Additional Members: 10 | Rows returned: 81 2 Next >> 
LOPAC 00494 0.573770491803279
Prest139 0.573770491803279
SPE01501114 0.571428571428571
Prest656 0.571428571428571
Prest1282 0.46875
SPE01505003 0.46875

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