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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 51 52 53 54 55 56 57 58 59 60  Next >> [205]
Species: 4932
Condition: REF2
Replicates: 2
Raw OD Value: r im 0.3404±0.0108187
Normalized OD Score: sc h 1.0429±0.00586212
Z-Score: 1.2238±0.154318
p-Value: 0.223778
Z-Factor: -1.65355
Fitness Defect: 1.4971
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2008-08-27 YYYY-MM-DD
Plate CH Control (+):0.041375±0.00066
Plate DMSO Control (-):0.31337499999999996±0.01336
Plate Z-Factor:0.8700
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DBLink | Rows returned: 14<< Back 1 2 3
5316427 N-[(4-hydroxy-3-methoxy-phenyl)methyl]octanamide
11727340 9-cyclopropyl-N-[(4-hydroxy-3-methoxy-phenyl)methyl]nonanamide

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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