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Compound InformationSONAR Target prediction
Name:

IRIGENIN, DIBENZYL ETHER

Unique Identifier:SPE00201181
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C32H28O8
Molecular Weight:512.338 g/mol
X log p:31.278  (online calculus)
Lipinksi Failures1
TPSA72.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:10
Canonical Smiles:COc1cc(cc(OCc2ccccc2)c1OC)C1=COc2cc(OCc3ccccc3)c(OC)c(O)c2C1=O
Source:derivative of Irigenin

Found: 101 nonactive as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [101]
Species: 4932
Condition: SHM2
Replicates: 2
Raw OD Value: r im 0.7963±0.00919239
Normalized OD Score: sc h 0.9892±0.0149117
Z-Score: -0.4117±0.566891
p-Value: 0.703888
Z-Factor: -202.987
Fitness Defect: 0.3511
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|G3
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: 1
6710674 3-(3,4-dimethoxy-5-phenylmethoxy-phenyl)-5-hydroxy-6-methoxy-7-phenylmethoxy-chromen-4-one

internal high similarity DBLink | Rows returned: 1
SPE00200763 0.9939

active | Cluster 9315 | Additional Members: 4 | Rows returned: 2
SPE00211076 0.52112676056338
SPE00200763 0

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