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Compound InformationSONAR Target prediction
Name:

PRENYLETIN

Unique Identifier:SPE00100101
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:232.147 g/mol
X log p:10.873  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(C)=CCOc1cc2OC(=O)C=Cc2cc1O
Class:coumarin
Source:Ptaeroxylon obliquum
Reference:J Chem Soc (C) 1967:145; Tet Lett 1967:2147

Found: 575 nonactive | as graph: single | with analogs [1] << Back 541 542 543 544 545 546 547 548 549 550  Next >> [575]
Species: 4932
Condition: SUR2
Replicates: 2
Raw OD Value: r im 0.6958±0.0247487
Normalized OD Score: sc h 0.9691±0.0244511
Z-Score: -1.5522±1.20412
p-Value: 0.249858
Z-Factor: -3.46436
Fitness Defect: 1.3869
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-05-06 YYYY-MM-DD
Plate CH Control (+):0.040499999999999994±0.00047
Plate DMSO Control (-):0.70975±0.01301
Plate Z-Factor:0.9402
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DBLink | Rows returned: 1
3873459 6-hydroxy-7-(3-methylbut-2-enoxy)chromen-2-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 14605 | Additional Members: 7 | Rows returned: 1
SPE01504168 0.573770491803279

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