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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 31 32 33 34 35 36 37 38 39 40  Next >> [205]
Species: 4932
Condition: KRE1
Replicates: 2
Raw OD Value: r im 0.6457±0.00296985
Normalized OD Score: sc h 0.9991±0.00284978
Z-Score: -0.2034±0.151867
p-Value: 0.839742
Z-Factor: -68.9077
Fitness Defect: 0.1747
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:29.40 Celcius
Date:2008-04-02 YYYY-MM-DD
Plate CH Control (+):0.049075±0.00322
Plate DMSO Control (-):0.620425±0.02272
Plate Z-Factor:0.8657
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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

nonactive | Cluster 2609 | Additional Members: 7 | Rows returned: 6
Prest969 0.448979591836735
SPE01500258 0.448979591836735
LOPAC 00168 0.326923076923077
LOPAC 00255 0.170212765957447
SPE01500142 0
LOPAC 00174 0

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