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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 21 22 23 24 25 26 27 28 29 30  Next >> [63]
Species: 4932
Condition: NAT1
Replicates: 2
Raw OD Value: r im 0.7473±0.00162635
Normalized OD Score: sc h 1.0169±0.00669497
Z-Score: 1.0194±0.429212
p-Value: 0.32996
Z-Factor: -4.13342
Fitness Defect: 1.1088
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:1|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.040575±0.00054
Plate DMSO Control (-):0.707975±0.01543
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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