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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CHS7
Replicates: 2
Raw OD Value: r im 0.5311±0.0409415
Normalized OD Score: sc h 0.9835±0.0648489
Z-Score: -0.4475±2.0395
p-Value: 0.189359
Z-Factor: -14.9535
Fitness Defect: 1.6641
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-02-21 YYYY-MM-DD
Plate CH Control (+):0.04055±0.00050
Plate DMSO Control (-):0.50915±0.02150
Plate Z-Factor:0.8622
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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
LOPAC 01291 1.0000

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

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