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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 511 512 513 514 515 516 517 518 519 520  Next >> [525]
Species: 4932
Condition: RPN1
Replicates: 2
Raw OD Value: r im 0.6236±0.0164049
Normalized OD Score: sc h 0.9484±0.0228073
Z-Score: -2.6142±1.1058
p-Value: 0.0337998
Z-Factor: -1.69032
Fitness Defect: 3.3873
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2008-05-28 YYYY-MM-DD
Plate CH Control (+):0.040025±0.00074
Plate DMSO Control (-):0.63615±0.01623
Plate Z-Factor:0.9224
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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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