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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 41 42 43 44 45 46 47 48 49 50  Next >> [101]
Species: 4932
Condition: KEM1
Replicates: 2
Raw OD Value: r im 0.6324±0.000919239
Normalized OD Score: sc h 1.0467±0.00253251
Z-Score: 1.9173±0.0213983
p-Value: 0.0552276
Z-Factor: -1.32724
Fitness Defect: 2.8963
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:23|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2008-05-08 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00064
Plate DMSO Control (-):0.5839000000000001±0.01889
Plate Z-Factor:0.9082
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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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