Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 21 22 23 24 25 26 27 28 29 30  Next >> [104]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.4785±0.00721249
Normalized OD Score: sc h 0.9779±0.00839532
Z-Score: -0.6529±0.257497
p-Value: 0.520718
Z-Factor: -10.8694
Fitness Defect: 0.6525
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:2008-02-05 YYYY-MM-DD
Plate CH Control (+):0.042225±0.00128
Plate DMSO Control (-):0.477±0.02004
Plate Z-Factor:0.8734
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory