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Compound InformationSONAR Target prediction
Name:

4,4--DIMETHOXYDALBERGIONE

Unique Identifier:SPE00201448
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:268.18 g/mol
X log p:14.879  (online calculus)
Lipinksi Failures1
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:COc1ccc(cc1)C(C=C)c1cc(=O)c(OC)cc1=O
Class:quinone
Source:Dalbergia nigra
Reference:Tetrahedron 21: 2683 (1965)

Found: 525 nonactive | as graph: single | with analogs [1] << Back 491 492 493 494 495 496 497 498 499 500  Next >> [525]
Species: 4932
Condition: MSN5
Replicates: 2
Raw OD Value: r im 0.6362±0.0348604
Normalized OD Score: sc h 0.9396±0.040743
Z-Score: -2.8977±1.83467
p-Value: 0.0547738
Z-Factor: -2.11936
Fitness Defect: 2.9045
Bioactivity Statement: Outlier
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-02-29 YYYY-MM-DD
Plate CH Control (+):0.04035±0.00062
Plate DMSO Control (-):0.658525±0.01309
Plate Z-Factor:0.9350
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 2012 | Additional Members: 3 | Rows returned: 1
SPE00201092 0.234042553191489

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