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Compound InformationSONAR Target prediction
Name:

DIALLYL TRISULFIDE

Unique Identifier:SPE01505014
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C6H10S3
Molecular Weight:168.262 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:C=CCSSSCC=C
Class:alkane
Source:Allium spp
Reference:Carcinogenesis 9:131 (1988); Nutr Cancer 29:152 (1997); Arch Biochem Biphys 340:279
(1997)
Therapeutics:antineoplastic

Found: 88 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [88]
Species: 4932
Condition: GIM4
Replicates: 2
Raw OD Value: r im 0.7248±0.00127279
Normalized OD Score: sc h 0.9803±0.00190753
Z-Score: -0.9143±0.100071
p-Value: 0.36176
Z-Factor: -2.72207
Fitness Defect: 1.0168
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-03-20 YYYY-MM-DD
Plate CH Control (+):0.040374999999999994±0.00137
Plate DMSO Control (-):0.721575±0.01435
Plate Z-Factor:0.9304
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 11 | Additional Members: 3 | Rows returned: 1
SPE01505174 0.473684210526316

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