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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 81 82 83 84 85 86 87 88 89 90  Next >> [104]
Species: 4932
Condition: SSB2
Replicates: 2
Raw OD Value: r im 0.6585±0.0142836
Normalized OD Score: sc h 0.9484±0.0211246
Z-Score: -2.8362±1.16658
p-Value: 0.022273
Z-Factor: -1.39264
Fitness Defect: 3.8044
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-05-29 YYYY-MM-DD
Plate CH Control (+):0.04035±0.00091
Plate DMSO Control (-):0.67785±0.01808
Plate Z-Factor:0.9408
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 2272 | Additional Members: 9 | Rows returned: 3
Prest266 0.517857142857143
Prest798 0
SPE01504173 0

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