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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 2 3 4 5 6 7 8 9 10  Next >> [26]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.7098±0.00296985
Normalized OD Score: sc h 0.7228±0.00264648
Z-Score: -5.4192±0.147549
p-Value: 0.000000069976
Z-Factor: 0.583602
Fitness Defect: 16.4751
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2008-05-14 YYYY-MM-DD
Plate CH Control (+):0.03995±0.00098
Plate DMSO Control (-):0.7018249999999999±0.02024
Plate Z-Factor:0.9074
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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

nonactive | Cluster 2609 | Additional Members: 7 | Rows returned: 6
Prest969 0.448979591836735
SPE01500258 0.448979591836735
LOPAC 00168 0.326923076923077
SPE02300334 0.326923076923077
LOPAC 00255 0.170212765957447
LOPAC 00174 0

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