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Compound InformationSONAR Target prediction
Name:

PTAEROXYLIN

Unique Identifier:SPE00100513
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:244.158 g/mol
X log p:6.787  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:CC1COc2cc3OC(C)=CC(=O)c3c(O)c2CC=1
Class:chromone
Source:Ptaeroxylon obliquum, Cedrelopsis grevei
Reference:J Chem Soc (C) 1966:114; 1967:145; Tet Lett 1967:3459

Found: 55 active | as graph: single | with analogs [1] << Back 51 52 53 54 55
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5886±0.0390323
Normalized OD Score: sc h 0.8662±0.0449906
Z-Score: -4.4611±1.29081
p-Value: 0.000193855
Z-Factor: -0.800928
Fitness Defect: 8.5484
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|B10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00123
Plate DMSO Control (-):0.637975±0.02639
Plate Z-Factor:0.8656
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DBLink | Rows returned: 1
3646533

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 4376 | Additional Members: 4 | Rows returned: 3
SPE00200447 0.542372881355932
SPE00100531 0.442622950819672
SPE00100719 0

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