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Compound InformationSONAR Target prediction
Name:

PIZOTYLINE MALATE

Unique Identifier:SPE01505003
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H27NO5S
Molecular Weight:402.316 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CN1CCC(CC1)=C1c2ccsc2CCc2ccccc21.OC(CC(O)=O)C(O)=O
Source:synthetic; PIZOTIFEN; BC-105
Reference:J Cardiovas Pharmacol 8:805 (1986); Eur Neurol 38:31 (1997)
Therapeutics:5HT antagonist, antimigraine

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: ARD1
Replicates: 2
Raw OD Value: r im 0.3306±0.00247487
Normalized OD Score: sc h 0.8422±0.00297635
Z-Score: -4.0806±0.0241921
p-Value: 0.0000450328
Z-Factor: 0.33761
Fitness Defect: 10.0081
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|H8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-07-10 YYYY-MM-DD
Plate CH Control (+):0.0412±0.00093
Plate DMSO Control (-):0.37692499999999995±0.01189
Plate Z-Factor:0.8716
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 4311 | Additional Members: 10 | Rows returned: 1
SPE01501114 0.571428571428571

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