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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 31 32 33 34 35 36 37 38 39 40  Next >> [67]
Species: 4932
Condition: KIN28
Replicates: 2
Raw OD Value: r im 0.9515±0.0247487
Normalized OD Score: sc h 0.9766±0.0164446
Z-Score: 0.1031±0.695613
p-Value: 0.624652
Z-Factor: -4.58481
Fitness Defect: 0.4706
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:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.09225±0.00765
Plate DMSO Control (-):0.97075±0.02227
Plate Z-Factor:0.8913
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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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