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Compound InformationSONAR Target prediction
Name:

GARLICIN

Unique Identifier:SPE01505174
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C6H10S2
Molecular Weight:136.196 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:C=CCSSCC=C
Class:alkane
Source:Allium spp, Descurainia sophia
Reference:Pharmazie 20:441 (1965); J Org Chem 40:1567 (1975); Food Chem Toxicol 26:297 (1988);
Cancer Res 35:3493 (1993); Bioxhim Biophys Acta 1315:15 (1996)
Therapeutics:antineoplastic, antibacterial, apoptosis inducer, insecticide

Found: 101 nonactive | as graph: single | with analogs [1] << Back 101
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5116±0.00608112
Normalized OD Score: sc h 1.0317±0.0107118
Z-Score: 0.8800±0.299194
p-Value: 0.389416
Z-Factor: -37.3502
Fitness Defect: 0.9431
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:23|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.0407±0.00103
Plate DMSO Control (-):0.49019999999999997±0.03974
Plate Z-Factor:0.9050
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 11 | Additional Members: 3 | Rows returned: 1
SPE01505014 0

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