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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 Next >> [24]
Species: 4932
Condition: tep1-2nd
Replicates: 2
Raw OD Value: r im 0.7979±0.0347897
Normalized OD Score: sc h 0.9896±0.025272
Z-Score: -0.4005±0.963461
p-Value: 0.529126
Z-Factor: -91.3213
Fitness Defect: 0.6365
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:2005-07-07 YYYY-MM-DD
Plate CH Control (+):0.0445±0.00373
Plate DMSO Control (-):0.7940499999999999±0.03107
Plate Z-Factor:0.8125
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DBLink | Rows returned: 141 2 3 Next >> 
2998 N-[(4-hydroxy-3-methoxy-phenyl)methyl]nonanamide
97030 N-[(4-hydroxy-3-methoxy-phenyl)methyl]heptanamide
107982 N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-nonanamide
168836 N-[(4-hydroxy-3-methoxy-phenyl)methyl]-7-methyl-octanamide
169252 N-[(4-hydroxy-3-methoxy-phenyl)methyl]decanamide
206278 N-[(4-hydroxy-3-methoxy-phenyl)methyl]undecanamide

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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