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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 131 132 133 134 135 136 137 138 139 140  Next >> [205]
Species: 4932
Condition: IDH2
Replicates: 2
Raw OD Value: r im 0.5722±0.00120208
Normalized OD Score: sc h 0.9814±0.00835501
Z-Score: -0.9264±0.395885
p-Value: 0.372854
Z-Factor: -13.3536
Fitness Defect: 0.9866
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:21|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2007-10-19 YYYY-MM-DD
Plate CH Control (+):0.041275000000000006±0.00051
Plate DMSO Control (-):0.572075±0.12138
Plate Z-Factor:0.2407
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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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