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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 21 22 23 24 25 26 27 28 29 30  Next >> [55]
Species: 4932
Condition: CNB1
Replicates: 2
Raw OD Value: r im 0.7030±0.0342947
Normalized OD Score: sc h 0.9018±0.0353375
Z-Score: -4.8451±1.67979
p-Value: 0.000127452
Z-Factor: -0.659035
Fitness Defect: 8.9678
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|B10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.70 Celcius
Date:2006-03-03 YYYY-MM-DD
Plate CH Control (+):0.038925±0.00109
Plate DMSO Control (-):0.76895±0.01439
Plate Z-Factor:0.9453
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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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