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Compound InformationSONAR Target prediction
Name:

N-Vanillylnonanamide

Unique Identifier:LOPAC 01291
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H27NO3
Molecular Weight:266.187 g/mol
X log p:6.381  (online calculus)
Lipinksi Failures2
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:11
Canonical Smiles:CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Class:Vanilloid
Action:Ligand

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6270±0.00169706
Normalized OD Score: sc h 0.9978±0.00737046
Z-Score: -0.0525±0.214918
p-Value: 0.879376
Z-Factor: -4.94644
Fitness Defect: 0.1285
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:16|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.047475±0.00156
Plate DMSO Control (-):0.666825±0.09333
Plate Z-Factor:0.8067
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DBLink | Rows returned: 14<< Back 1 2 3 Next >> 
297423 4-cyclobutyl-N-[(4-hydroxy-3-methoxy-phenyl)methyl]butanamide
3024455 N-[(4-hydroxy-3-methoxy-phenyl)methyl]octadecanamide
3053256 N-[(4-hydroxy-3-methoxy-phenyl)methyl]dodecanamide
3064434 3-cyclopentyl-N-[(4-hydroxy-3-methoxy-phenyl)methyl]propanamide
3073614 N-[(4-hydroxy-3-methoxy-phenyl)methyl]-9-methyl-octadecanamide
3084336 N-[(4-hydroxy-3-methoxy-phenyl)methyl]-9-methyl-decanamide

internal high similarity DBLink | Rows returned: 2
LOPAC 01026 1.0000
SPE02300192 1.0000

active | Cluster 16111 | Additional Members: 9 | Rows returned: 1
LOPAC 01216 0.528571428571429

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