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Compound InformationSONAR Target prediction
Name:

DIALLYL SULFIDE

Unique Identifier:SPE01505293
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C6H10S
Molecular Weight:104.13 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:C=CCSCC=C
Class:alkane
Source:Allium spp, Wasabia japonica
Reference:Arch Biochem Biophys 107:137 (1964); JACS 104:312 (1982); Cancer Lett 64:39 (1992);
118:61 (1997);J Nutrition 131:1041S (2001)
Therapeutics:anitbacterial, antifungal, antineoplastic, antihypercholesterolaemic,
hepatoprotectant

Found: 104 nonactive as graph: single | with analogs [1] << Back 101 102 103 104
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 0.9188±0.0417193
Normalized OD Score: sc h 0.9311±0.0335118
Z-Score: -0.7914±1.09679
p-Value: 0.552224
Z-Factor: -2.13322
Fitness Defect: 0.5938
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:21|F4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.000525±0.00300
Plate DMSO Control (-):1.008725±0.02968
Plate Z-Factor:0.8945
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 11 | Additional Members: 3 | Rows returned: 2
SPE01505174 0.473684210526316
SPE01505014 0

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