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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 201 202 203 204 205
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.7086±0.00841457
Normalized OD Score: sc h 1.0128±0.00774466
Z-Score: 0.4229±0.239191
p-Value: 0.676742
Z-Factor: -18.3177
Fitness Defect: 0.3905
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.80 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.040900000000000006±0.00118
Plate DMSO Control (-):0.661775±0.02286
Plate Z-Factor:0.8719
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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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