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Compound InformationSONAR Target prediction
Name:

DESMETHYLDIHYDROCAPSAICIN

Unique Identifier:SPE02300192
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Therapeutics:analgesic (topical), depletes Substance P

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: pdr_yCG196
Replicates: 2
Raw OD Value: r im 0.7425±0.0106066
Normalized OD Score: sc h 0.9603±0.000904315
Z-Score: -1.3263±0.020178
p-Value: 0.184773
Z-Factor: -0.295896
Fitness Defect: 1.6886
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:25|A2
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09425±0.01067
Plate DMSO Control (-):0.93475±0.01453
Plate Z-Factor:0.9367
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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
LOPAC 01291 1.0000

nonactive | Cluster 16111 | Additional Members: 9 | Rows returned: 5
LOPAC 01216 0.528571428571429
Prest204 0.338709677419355
SPE01501128 0.338709677419355
LOPAC 01026 0.245614035087719
LOPAC 01291 0

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