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Compound InformationSONAR Target prediction
Name:

DALBERGIONE, 4-METHOXY-4--HYDROXY-

Unique Identifier:SPE00200798
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:256.169 g/mol
X log p:14.526  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:COc1cc(=O)c(cc1=O)C(C=C)c1ccc(O)cc1
Class:quinone
Source:Dalbergia spp
Reference:Chem Commun 1968: 1392; mp 174-176 C (blackens)

Found: 205 nonactive as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [205]
Species: 4932
Condition: SHM2
Replicates: 2
Raw OD Value: r im 0.7395±0.0617304
Normalized OD Score: sc h 0.9255±0.0760387
Z-Score: -2.7085±2.71546
p-Value: 0.215232
Z-Factor: -4.07774
Fitness Defect: 1.536
Bioactivity Statement: Outlier
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2006-04-08 YYYY-MM-DD
Plate CH Control (+):0.037974999999999995±0.00165
Plate DMSO Control (-):0.7937±0.02421
Plate Z-Factor:0.8472
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2012 | Additional Members: 3 | Rows returned: 2
SPE00201092 0.234042553191489
SPE00201448 0

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