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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: 26 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 Next >> [26]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.4531±0.0502046
Normalized OD Score: sc h 0.6962±0.0608535
Z-Score: -6.3522±0.739124
p-Value: 0.00000000278244
Z-Factor: 0.126787
Fitness Defect: 19.6999
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.03875000000000001±0.00246
Plate DMSO Control (-):0.6314±0.01665
Plate Z-Factor:0.9302
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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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