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Compound InformationSONAR Target prediction
Name:

5-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]pentanenitrile

Unique Identifier:JFD 00150
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20H17NO3
Molecular Weight:302.219 g/mol
X log p:18.85  (online calculus)
Lipinksi Failures1
TPSA59.32
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:6
Canonical Smiles:O=C1C=C(Oc2cc(OCCCCC#N)ccc12)c1ccccc1

Found: 67 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [67]
Species: 4932
Condition: BY4741-3rd
Replicates: 2
Raw OD Value: r im 0.6965±0.0869741
Normalized OD Score: sc h 1.0026±0.0887059
Z-Score: -0.4758±4.84704
p-Value: 0.00162819
Z-Factor: -38.884
Fitness Defect: 6.4203
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Bioactive
Plate Number and Position:4|C3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.098±0.00984
Plate DMSO Control (-):0.8852500000000001±0.03929
Plate Z-Factor:0.7425
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DBLink | Rows returned: 1
2817216 5-(4-oxo-2-phenyl-chromen-7-yl)oxypentanenitrile

internal high similarity DBLink | Rows returned: 1
SPE01400010 0.9045

active | Cluster 11236 | Additional Members: 5 | Rows returned: 0
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