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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 441 442 443 444 445 446 447 448 449 450  Next >> [585]
Species: 4932
Condition: HXK2
Replicates: 2
Raw OD Value: r im 0.7703±0.00905097
Normalized OD Score: sc h 0.9986±0.0021633
Z-Score: -0.0663±0.0961421
p-Value: 0.945918
Z-Factor: -19.347
Fitness Defect: 0.0556
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.70 Celcius
Date:2008-03-05 YYYY-MM-DD
Plate CH Control (+):0.040775000000000006±0.00044
Plate DMSO Control (-):0.741025±0.02222
Plate Z-Factor:0.8876
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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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