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Compound InformationSONAR Target prediction
Name:

KETOTIFEN FUMARATE

Unique Identifier:SPE01500668
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Therapeutics:antiasthmatic

Found: 205 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CHS3
Replicates: 2
Raw OD Value: r im 0.6558±0.00671751
Normalized OD Score: sc h 0.9860±0.0192534
Z-Score: -0.6417±0.873676
p-Value: 0.594414
Z-Factor: -6.50453
Fitness Defect: 0.5202
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|H7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2008-06-20 YYYY-MM-DD
Plate CH Control (+):0.0401±0.00083
Plate DMSO Control (-):0.644925±0.01414
Plate Z-Factor:0.9556
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DBLink | Rows returned: 2
36856
5282408

internal high similarity DBLink | Rows returned: 1
LOPAC 00997 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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