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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 1 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: MKK1
Replicates: 2
Raw OD Value: r im 0.9000±0.0141421
Normalized OD Score: sc h 1.0087±0.00578916
Z-Score: 0.2529±0.179162
p-Value: 0.801872
Z-Factor: -28.6796
Fitness Defect: 0.2208
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:10|A2
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0995±0.00902
Plate DMSO Control (-):0.96225±0.02174
Plate Z-Factor:0.9047
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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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