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Compound InformationSONAR Target prediction
Name:

Pizotifen malate

Unique Identifier:Prest1282
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H27NO5S
Molecular Weight:402.316 g/mol
X log p:13.463  (online calculus)
Lipinksi Failures1
TPSA28.54
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CN1CCC(CC1)=C1c2ccsc2CCc2ccccc21.OC(CC(O)=O)C(O)=O

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 792.0000±0
Normalized OD Score: sc h 0.8686±0
Z-Score: -2.9616±0
p-Value: 0.00306016
Z-Factor: -5.27811
Fitness Defect: 5.7893
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:13|D3
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.50 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):727.5±605.08760
Plate DMSO Control (-):773±261.27974
Plate Z-Factor:-83.4256
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DBLink | Rows returned: 2
168993
6604592

internal high similarity DBLink | Rows returned: 0

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

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