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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: ILV3
Replicates: 2
Raw OD Value: r im 0.9109±0.0122329
Normalized OD Score: sc h 0.9286±0.0132082
Z-Score: -0.1690±0.195267
p-Value: 0.867052
Z-Factor: -0.298015
Fitness Defect: 0.1427
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:2012-09-18 YYYY-MM-DD
Plate CH Control (+):-0.000525±0.00053
Plate DMSO Control (-):0.9954000000000001±0.01958
Plate Z-Factor:0.9325
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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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