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Compound InformationSONAR Target prediction
Name:

ONONETIN

Unique Identifier:SPE00212097
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:244.158 g/mol
X log p:15.172  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(CC(=O)c2ccc(O)cc2O)cc1
Class:aromatic
Source:Trifolium subterraneum
Reference:Monatsh Chem 63: 201 (1933); Aust J Chem 19: 1755 (1966)

Found: 37 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [37]
Species: 4932
Condition: TIF3
Replicates: 2
Raw OD Value: r im 0.4594±0.0092631
Normalized OD Score: sc h 0.7523±0.0115761
Z-Score: -11.6389±0.878227
p-Value: 1.56591e-28
Z-Factor: 0.343147
Fitness Defect: 64.0239
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-10-31 YYYY-MM-DD
Plate CH Control (+):0.042025±0.00069
Plate DMSO Control (-):0.59565±0.02500
Plate Z-Factor:0.8617
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DBLink | Rows returned: 2
253300 2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
259632 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone

internal high similarity DBLink | Rows returned: 3
BTB 12518 0.9016
BTB 12526 0.9839
RJC 00203 1.0000

nonactive | Cluster 16963 | Additional Members: 14 | Rows returned: 92 Next >> 
LAT017G05 0.517241379310345
LAT015C09 0.490566037735849
SPE00100616 0.462962962962963
LAT017D05 0.454545454545455
LAT016D06 0.444444444444444
LAT016C09 0.363636363636364

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