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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 21 22 23 24 25 26 27 28 29 30  Next >> [57]
Species: 4932
Condition: IDH2
Replicates: 2
Raw OD Value: r im 0.5284±0.00749533
Normalized OD Score: sc h 0.9149±0.0129237
Z-Score: -4.2712±0.751898
p-Value: 0.000092967
Z-Factor: -8.61698
Fitness Defect: 9.2833
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2007-10-19 YYYY-MM-DD
Plate CH Control (+):0.04115±0.00091
Plate DMSO Control (-):0.56735±0.09656
Plate Z-Factor:0.4260
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DBLink | Rows returned: 1
612556

internal high similarity DBLink | Rows returned: 0

active | Cluster 4376 | Additional Members: 4 | Rows returned: 2
SPE00200447 0.542372881355932
SPE00100513 0.419354838709677

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