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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 161 162 163 164 165 166 167 168 169 170  Next >> [205]
Species: 4932
Condition: RPN1
Replicates: 2
Raw OD Value: r im 0.6839±0.000777817
Normalized OD Score: sc h 1.0240±0.00560729
Z-Score: 1.2166±0.315333
p-Value: 0.235206
Z-Factor: -6.12979
Fitness Defect: 1.4473
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2008-05-28 YYYY-MM-DD
Plate CH Control (+):0.040624999999999994±0.00051
Plate DMSO Control (-):0.6430750000000001±0.02405
Plate Z-Factor:0.8649
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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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