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Compound InformationSONAR Target prediction
Name:

ATOMOXETINE HYDROCHLORIDE

Unique Identifier:SPE01505385
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16ClH20NO
Molecular Weight:257.63 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:Cl.CNCCC(Oc1ccccc1)c1ccccc1
Source:synthetic; LY-139603
Therapeutics:norepinephrine reuptake inhibitor

Found: 104 nonactive as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [104]
Species: 4932
Condition: DRS2
Replicates: 2
Raw OD Value: r im 0.6850±0.00565685
Normalized OD Score: sc h 0.9611±0.00575164
Z-Score: -1.6820±0.242815
p-Value: 0.0973772
Z-Factor: -1.09083
Fitness Defect: 2.3292
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2008-01-11 YYYY-MM-DD
Plate CH Control (+):0.042325±0.00106
Plate DMSO Control (-):0.689125±0.01542
Plate Z-Factor:0.9182
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2272 | Additional Members: 9 | Rows returned: 81 2 Next >> 
Prest266 0.517857142857143
LOPAC 00132 0.517857142857143
LOPAC 01274 0.482142857142857
Prest798 0
LOPAC 00909 0
LOPAC 00510 0

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