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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 21 22 23 24 25 26 27 28 29 30 Next >> [30]
Species: 4932
Condition: ROT2
Replicates: 2
Raw OD Value: r im 0.7240±0.00169706
Normalized OD Score: sc h 0.9694±0.00389993
Z-Score: -1.7502±0.264694
p-Value: 0.0853634
Z-Factor: -0.735527
Fitness Defect: 2.4608
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:7|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.00 Celcius
Date:2007-08-17 YYYY-MM-DD
Plate CH Control (+):0.041075±0.00191
Plate DMSO Control (-):0.737525±0.01376
Plate Z-Factor:0.9221
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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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