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Compound InformationSONAR Target prediction
Name:

CHRYSIN DIMETHYL ETHER

Unique Identifier:SPE01500739
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H14O4
Molecular Weight:268.18 g/mol
X log p:17.421  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1cc(OC)c2C(=O)C=C(Oc2c1)c1ccccc1
Source:ex Boesenburgia pandurata, Leptosermum scoparium

Found: 38 active | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 Next >> [38]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.1830±0.0254558
Normalized OD Score: sc h 0.4723±0.0398996
Z-Score: -4.5804±0.0596997
p-Value: 0.00000473222
Z-Factor: 0.356308
Fitness Defect: 12.2611
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2006-04-25 YYYY-MM-DD
Plate CH Control (+):0.039224999999999996±0.00207
Plate DMSO Control (-):0.39549999999999996±0.02754
Plate Z-Factor:0.7526
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DBLink | Rows returned: 2
88881 5,7-dimethoxy-2-phenyl-chromen-4-one
1636405 2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one

internal high similarity DBLink | Rows returned: 192 3 4 Next >> 
RJC 01511 0.9065
SPE01504068 0.9067
BTB 10082 0.9085
SPE00240958 0.9085
SPE01600652 0.9122
SPE01504002 0.9241

active | Cluster 4262 | Additional Members: 9 | Rows returned: 2
SPE01501197 0.431372549019608
SPE01500738 0.388888888888889

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