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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 31 32 33 34 35 36 37 38 39 40  Next >> [104]
Species: 4932
Condition: HHF1
Replicates: 2
Raw OD Value: r im 0.6470±0.0187383
Normalized OD Score: sc h 0.9807±0.0150353
Z-Score: -0.8204±0.612071
p-Value: 0.454208
Z-Factor: -8.32772
Fitness Defect: 0.7892
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-04-15 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00061
Plate DMSO Control (-):0.6558999999999999±0.03734
Plate Z-Factor:0.8400
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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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