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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 11 12 13 14 15 16 17 18 19 20 Next >> 
Species: 4932
Condition: SPE00100528
Replicates: 2
Raw OD Value: r im 0.2970±0.0179605
Normalized OD Score: sc h 0.6175±0.0243594
Z-Score: -5.2710±0.114653
p-Value: 0.000000148622
Z-Factor: 0.386791
Fitness Defect: 15.7219
Bioactivity Statement: Active
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:7|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.90 Celcius
Date:2006-08-16 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00219
Plate DMSO Control (-):0.522425±0.02555
Plate Z-Factor:0.8162
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DBLink | Rows returned: 1
2778855 2-phenylsulfanylethanethioamide

internal high similarity DBLink | Rows returned: 0

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