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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 31 32 33 34 35 36 37 38 39 40  Next >> [43]
Species: 4932
Condition: SSB2
Replicates: 2
Raw OD Value: r im 0.6006±0.02786
Normalized OD Score: sc h 0.8464±0.0433556
Z-Score: -8.4393±2.36556
p-Value: 0.00000000000659116
Z-Factor: -0.155394
Fitness Defect: 25.7453
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:1|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2008-05-29 YYYY-MM-DD
Plate CH Control (+):0.041125±0.00052
Plate DMSO Control (-):0.6849749999999999±0.01101
Plate Z-Factor:0.9394
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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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