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Compound InformationSONAR Target prediction
Name:

ISOPEONOL

Unique Identifier:SPE01400156
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:156.094 g/mol
X log p:6.346  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:COc1cc(O)ccc1C(C)=O
Class:aromatic
Source:Paeonia spp

Found: 205 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: COT1
Replicates: 2
Raw OD Value: r im 0.6836±0.00523259
Normalized OD Score: sc h 0.9802±0.005904
Z-Score: -1.0304±0.319162
p-Value: 0.315052
Z-Factor: -4.50589
Fitness Defect: 1.155
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-11-20 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00080
Plate DMSO Control (-):0.6803250000000001±0.01672
Plate Z-Factor:0.9229
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DBLink | Rows returned: 1
529402 1-(4-hydroxy-2-methoxy-phenyl)ethanone

internal high similarity DBLink | Rows returned: 1
SPE00200441 0.9434

nonactive | Cluster 16548 | Additional Members: 1 | Rows returned: 0
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