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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 11 12 13 14 15 16 17 18 19 20  Next >> [88]
Species: 4932
Condition: CIN8
Replicates: 2
Raw OD Value: r im 0.6538±0.00162635
Normalized OD Score: sc h 0.9793±0.0048087
Z-Score: -0.9688±0.261335
p-Value: 0.340828
Z-Factor: -3.95238
Fitness Defect: 1.0764
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2008-02-06 YYYY-MM-DD
Plate CH Control (+):0.041475±0.00061
Plate DMSO Control (-):0.6406499999999999±0.02050
Plate Z-Factor:0.8939
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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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