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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 441 442 443 444 445 446 447 448 449 450  Next >> [575]
Species: 4896
Condition: MT1181-W303mata
Replicates: 2
Raw OD Value: r im 0.4553±0.0564978
Normalized OD Score: sc h 1.0680±0.0452978
Z-Score: 0.6942±0.466772
p-Value: 0.510742
Z-Factor: -3.81678
Fitness Defect: 0.6719
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2005-12-14 YYYY-MM-DD
Plate CH Control (+):0.47402500000000003±0.04250
Plate DMSO Control (-):0.470425±0.03222
Plate Z-Factor:-53.5235
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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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