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Compound InformationSONAR Target prediction
Name:

Aminobenztropine

Unique Identifier:LOPAC 00168
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H26N2O
Molecular Weight:296.238 g/mol
X log p:18.29  (online calculus)
Lipinksi Failures1
TPSA12.47
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1N
Class:Cholinergic
Action:Ligand
Selectivity:Muscarinic

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: HOC1
Replicates: 2
Raw OD Value: r im 0.5982±0.0709935
Normalized OD Score: sc h 1.0843±0.132127
Z-Score: 3.6139±5.74138
p-Value: 0.32784
Z-Factor: -3.93991
Fitness Defect: 1.1152
Bioactivity Statement: Outlier
Experimental Conditions
Library:Lopac
Plate Number and Position:2|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2005-11-24 YYYY-MM-DD
Plate CH Control (+):0.0387±0.00118
Plate DMSO Control (-):0.55865±0.01265
Plate Z-Factor:0.8920
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DBLink | Rows returned: 2
2143 2-[(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)oxy-phenyl-methyl]aniline
6603695 2-[(S)-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]oxy-phenyl-methyl]aniline

internal high similarity DBLink | Rows returned: 1
SPE02300334 1.0000

active | Cluster 2609 | Additional Members: 7 | Rows returned: 2
LOPAC 00255 0.170212765957447
SPE01500142 0

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