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Compound InformationSONAR Target prediction
Name:

Ketotifen fumarate

Unique Identifier:Prest743
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

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 18191.0000±0
Normalized OD Score: sc h 0.9805±0
Z-Score: -0.5437±0
p-Value: 0.58664
Z-Factor: -9.64486
Fitness Defect: 0.5333
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:5|F2
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.80 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18290±2002.70234
Plate DMSO Control (-):18264.5±1013.26960
Plate Z-Factor:-63.2184
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DBLink | Rows returned: 2
36856
5282408

internal high similarity DBLink | Rows returned: 0

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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