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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 11 12 13 14 15 16 17 18 19 20  Next >> [104]
Species: 4932
Condition: ARL3
Replicates: 2
Raw OD Value: r im 0.6901±0.00876812
Normalized OD Score: sc h 0.9941±0.00793986
Z-Score: -0.2713±0.35931
p-Value: 0.7928
Z-Factor: -11.7804
Fitness Defect: 0.2322
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2008-06-11 YYYY-MM-DD
Plate CH Control (+):0.040925±0.00044
Plate DMSO Control (-):0.6816±0.01124
Plate Z-Factor:0.9408
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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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