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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: 3 active | as graph: single | with analogs << Back 1 2 3
Species: 4932
Condition: RPA49
Replicates: 2
Raw OD Value: r im 0.5122±0.021991
Normalized OD Score: sc h 0.8772±0.00661608
Z-Score: -4.3269±0.405315
p-Value: 0.0000286662
Z-Factor: -0.285333
Fitness Defect: 10.4598
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2007-12-13 YYYY-MM-DD
Plate CH Control (+):0.04195±0.00067
Plate DMSO Control (-):0.548775±0.02730
Plate Z-Factor:0.7960
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 11 | Additional Members: 3 | Rows returned: 2
SPE01505293 0.55
SPE01505174 0.473684210526316

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