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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 51 52 53 54 55 56 57 58 59 60  Next >> [67]
Species: 4932
Condition: RIO1
Replicates: 2
Raw OD Value: r im 0.8545±0.0275772
Normalized OD Score: sc h 1.0141±0.0172741
Z-Score: 0.3494±0.448582
p-Value: 0.739648
Z-Factor: -13.2238
Fitness Defect: 0.3016
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 (+):0.093±0.00607
Plate DMSO Control (-):0.931±0.01783
Plate Z-Factor:0.9218
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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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