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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 41 42 43 44 45 46 47 48 49 50  Next >> [57]
Species: 4932
Condition: ROM2
Replicates: 2
Raw OD Value: r im 0.5445±0.0169706
Normalized OD Score: sc h 0.8206±0.00625592
Z-Score: -7.9147±0.546189
p-Value: 0.0000000000000257112
Z-Factor: -2.6524
Fitness Defect: 31.2918
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2007-11-21 YYYY-MM-DD
Plate CH Control (+):0.040025±0.00056
Plate DMSO Control (-):0.645825±0.11838
Plate Z-Factor:0.3954
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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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