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 11 12 13 14 15 16 17 18 19 20  Next >> [104]
Species: 4932
Condition: ASF1
Replicates: 2
Raw OD Value: r im 0.5674±0.00749533
Normalized OD Score: sc h 0.9569±0.00926597
Z-Score: -1.8195±0.404862
p-Value: 0.0802168
Z-Factor: -1.62147
Fitness Defect: 2.523
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-01-30 YYYY-MM-DD
Plate CH Control (+):0.04365±0.00046
Plate DMSO Control (-):0.571425±0.01451
Plate Z-Factor:0.9267
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory