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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 1 2 3 4 5 6 7 8 9 10  Next >> [57]
Species: 4932
Condition: SPE00307050
Replicates: 2
Raw OD Value: r im 0.2057±0
Normalized OD Score: sc h 0.5840±0
Z-Score: -9.1750±0
p-Value: 4.51354e-20
Z-Factor: 0.817205
Fitness Defect: 44.5446
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2006-08-17 YYYY-MM-DD
Plate CH Control (+):0.04065±0.00251
Plate DMSO Control (-):0.35225±0.00896
Plate Z-Factor:0.8897
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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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