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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 111 112 113 114 115 116 117 118 119 120  Next >> [205]
Species: 4932
Condition: CHS3
Replicates: 2
Raw OD Value: r im 0.6951±0.00933381
Normalized OD Score: sc h 1.0447±0.0192988
Z-Score: 2.0745±0.939651
p-Value: 0.0823476
Z-Factor: -1.72292
Fitness Defect: 2.4968
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2008-06-20 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00051
Plate DMSO Control (-):0.6551499999999999±0.01703
Plate Z-Factor:0.9030
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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

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