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Compound InformationSONAR Target prediction
Name:

DIHYDROPTAEROXYLIN

Unique Identifier:SPE00100719
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H16O4
Molecular Weight:244.158 g/mol
X log p:4.714  (online calculus)
Lipinksi Failures0
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:CC1CCc2c(O)c3C(=O)C=C(C)Oc3cc2OC1
Source:mp 84-87; derivative of Ptaeroxylin (00100514)
Reference:Tet Letters 1967: 3459

Found: 57 active | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [57]
Species: 4932
Condition: NUP100
Replicates: 2
Raw OD Value: r im 0.6970±0.0138593
Normalized OD Score: sc h 0.9214±0.00573698
Z-Score: -5.3626±0.350912
p-Value: 0.000000167399
Z-Factor: -0.88075
Fitness Defect: 15.6029
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.60 Celcius
Date:2007-08-28 YYYY-MM-DD
Plate CH Control (+):0.0404±0.00056
Plate DMSO Control (-):0.7372750000000001±0.03571
Plate Z-Factor:0.8165
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DBLink | Rows returned: 1
612556

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 4376 | Additional Members: 4 | Rows returned: 3
SPE00200447 0.542372881355932
SPE00100531 0.442622950819672
SPE00100513 0.419354838709677

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