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Compound InformationSONAR Target prediction
Name:

GENISTEIN, 8-METHYL

Unique Identifier:SPE00201355
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H12O5
Molecular Weight:272.168 g/mol
X log p:12.714  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:Cc1c(O)cc(O)c2C(=O)C(=COc12)c1ccc(O)cc1

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: LGE1
Replicates: 2
Raw OD Value: r im 0.5130±0.0350018
Normalized OD Score: sc h 0.9437±0.00322119
Z-Score: -0.9507±0.0316379
p-Value: 0.341866
Z-Factor: -1.99764
Fitness Defect: 1.0733
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2006-02-08 YYYY-MM-DD
Plate CH Control (+):0.03949999999999999±0.00133
Plate DMSO Control (-):0.5335749999999999±0.01766
Plate Z-Factor:0.8813
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DBLink | Rows returned: 1
5781195 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methyl-chromen-4-one

internal high similarity DBLink | Rows returned: 92 Next >> 
LOPAC 00426 0.9070
SPE00200789 0.9070
SPE01500726 0.9084
SPE10100004 0.9084
SPE00240565 0.9147
SPE10100003 0.9154

nonactive | Cluster 7497 | Additional Members: 7 | Rows returned: 6
SPE00211566 0.557894736842105
SPE00201584 0.527472527472527
SPE00300348 0.476190476190476
SPE00201581 0.463414634146341
SPE00201580 0.180555555555556
SPE00201595 0

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