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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: 30 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [30]
Species: 4896
Condition: MT1181-W303mata
Replicates: 2
Raw OD Value: r im 0.2295±0.0198697
Normalized OD Score: sc h 1.0169±0.0554007
Z-Score: 0.2571±0.876396
p-Value: 0.54875
Z-Factor: -1514.78
Fitness Defect: 0.6001
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:7|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.10 Celcius
Date:2005-12-16 YYYY-MM-DD
Plate CH Control (+):0.21505000000000002±0.01346
Plate DMSO Control (-):0.2368±0.03703
Plate Z-Factor:-3.1306
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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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