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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: 113 active | as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [113]
Species: 4932
Condition: SKT5
Replicates: 2
Raw OD Value: r im 0.5975±0.0286378
Normalized OD Score: sc h 0.8718±0.0436702
Z-Score: -6.3795±2.2044
p-Value: 0.000000714972
Z-Factor: -0.74685
Fitness Defect: 14.151
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2008-06-17 YYYY-MM-DD
Plate CH Control (+):0.0407±0.00064
Plate DMSO Control (-):0.6703250000000001±0.01837
Plate Z-Factor:0.9175
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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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