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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: 43 active | as graph: single | with analogs [1] << Back 41 42 43
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.6645±0.0000707107
Normalized OD Score: sc h 0.0692±0.000359089
Z-Score: -47.3108±1.12323
p-Value: 0
Z-Factor: 0.923596
Fitness Defect: INF
Bioactivity Statement: Toxic
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 (+):0.08625±0.00494
Plate DMSO Control (-):0.733±0.01250
Plate Z-Factor:0.9108
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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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