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Compound InformationSONAR Target prediction
Name:

SERTRALINE HYDROCHLORIDE

Unique Identifier:SPE01505262
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17Cl3H18N
Molecular Weight:324.547 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:Cl.CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc12
Source:synthetic
Therapeutics:antidepressant, 5HT uptake inhibitor

Found: 63 nonactive | as graph: single | with analogs [1] << Back 61 62 63 Next >> [63]
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.7500±0.0452548
Normalized OD Score: sc h 0.8588±0.00337405
Z-Score: -3.8879±0.0650533
p-Value: 0.000102819
Z-Factor: 0.245323
Fitness Defect: 9.1825
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:9|E11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0975±0.00711
Plate DMSO Control (-):0.96225±0.03021
Plate Z-Factor:0.8329
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1690 | Additional Members: 4 | Rows returned: 3
LAT017F05 0.567164179104478
LOPAC 00315 0.37037037037037
Prest1219 0

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