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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 2 3 4 5 6 7 8 9 10  Next >> [43]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.6753±0.0114551
Normalized OD Score: sc h 0.9205±0.0286567
Z-Score: -4.2398±1.61534
p-Value: 0.000975496
Z-Factor: -0.833477
Fitness Defect: 6.9326
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:1|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.039975±0.00102
Plate DMSO Control (-):0.7103±0.01415
Plate Z-Factor:0.9224
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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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