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Compound InformationSONAR Target prediction
Name:

JUGLONE

Unique Identifier:SPE00300038
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:168.105 g/mol
X log p:9.674  (online calculus)
Lipinksi Failures1
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:Oc1cccc2c(=O)ccc(=O)c12
Class:quinone
Source:leaves and nuts of Juglans spp., Carya spp and Pterocarya spp.
Therapeutics:antineoplastic, antifungal

Found: 193 nonactive | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [193]
Species: 4932
Condition: HSC82
Replicates: 2
Raw OD Value: r im 0.6925±0.00381838
Normalized OD Score: sc h 0.9729±0.000853401
Z-Score: -1.5107±0.137086
p-Value: 0.132677
Z-Factor: -2.73362
Fitness Defect: 2.0198
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-04-29 YYYY-MM-DD
Plate CH Control (+):0.041249999999999995±0.00062
Plate DMSO Control (-):0.715425±0.01764
Plate Z-Factor:0.9265
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DBLink | Rows returned: 1
3806 5-hydroxynaphthalene-1,4-dione

internal high similarity DBLink | Rows returned: 0

active | Cluster 7565 | Additional Members: 10 | Rows returned: 5
SPE01505129 0.475
SPE00300545 0.35
LAT015F08 0.333333333333333
SPE00211468 0
LAT005A05 0

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