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Compound InformationSONAR Target prediction
Name:

AMINOBENZTROPINE

Unique Identifier:SPE02300334
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Reference:J Biol Chem 258: 13575 (1983)
Therapeutics:muscarinic agonist

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: ATP4
Replicates: 2
Raw OD Value: r im 0.6728±0.00205061
Normalized OD Score: sc h 1.0052±0.00726655
Z-Score: 0.1814±0.261936
p-Value: 0.85543
Z-Factor: -52.3276
Fitness Defect: 0.1562
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2008-03-06 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00055
Plate DMSO Control (-):0.6351±0.01392
Plate Z-Factor:0.9359
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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
LOPAC 00168 1.0000

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

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