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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 11 12 13 14 15 16 17 18 19 20  Next >> [43]
Species: 4932
Condition: DRS2
Replicates: 2
Raw OD Value: r im 0.0460±0.000636396
Normalized OD Score: sc h 0.0645±0.00165851
Z-Score: -40.3751±0.0152982
p-Value: 0
Z-Factor: 0.946574
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:1|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.30 Celcius
Date:2008-01-11 YYYY-MM-DD
Plate CH Control (+):0.04175±0.00029
Plate DMSO Control (-):0.68295±0.01027
Plate Z-Factor:0.9453
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 1690 | Additional Members: 4 | Rows returned: 1
LOPAC 00315 0.37037037037037

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