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Compound InformationSONAR Target prediction
Name:

2-(phenylthio)ethanethioamide

Unique Identifier:KM 04192
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C8H9NS2
Molecular Weight:174.224 g/mol
X log p:9.926  (online calculus)
Lipinksi Failures1
TPSA57.39
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:3
Canonical Smiles:NC(=S)CSc1ccccc1

Found: 20 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: CLA4
Replicates: 2
Raw OD Value: r im 0.4760±0.00190919
Normalized OD Score: sc h 0.7109±0.0030447
Z-Score: -7.2182±0.846419
p-Value: 0.0000000000180002
Z-Factor: -0.250416
Fitness Defect: 24.7406
Bioactivity Statement: Active
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:7|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.50 Celcius
Date:2007-04-26 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00310
Plate DMSO Control (-):0.706475±0.08003
Plate Z-Factor:0.6553
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DBLink | Rows returned: 1
2778855 2-phenylsulfanylethanethioamide

internal high similarity DBLink | Rows returned: 0

active | Cluster 10503 | Additional Members: 2 | Rows returned: 0
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