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Compound InformationSONAR Target prediction
Name:

BENZTROPINE

Unique Identifier:SPE01500142
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:378.294 g/mol
X log p:20.956  (online calculus)
Lipinksi Failures1
TPSA12.47
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:4
Canonical Smiles:CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1.OS(O)(=O)=O
Source:synthetic
Therapeutics:anticholinergic

Found: 585 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [585]
Species: 4932
Condition: SPE00240740
Replicates: 2
Raw OD Value: r im 0.7201±0.0190212
Normalized OD Score: sc h 0.9770±0.010584
Z-Score: -1.1346±0.471858
p-Value: 0.282594
Z-Factor: -3.58821
Fitness Defect: 1.2637
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.039474999999999996±0.00223
Plate DMSO Control (-):0.7813749999999999±0.01607
Plate Z-Factor:0.9307
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DBLink | Rows returned: 1
5702011 3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; sulfuric acid

internal high similarity DBLink | Rows returned: 1
LOPAC 00174 0.9583

active | Cluster 2609 | Additional Members: 7 | Rows returned: 1
LOPAC 00255 0.170212765957447

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