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Compound InformationSONAR Target prediction
Name:

CAPSAICIN

Unique Identifier:SPE01501128
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:278.198 g/mol
X log p:10.788  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:10
Canonical Smiles:COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O
Class:lipid
Source:Capsicum spp
Reference:J Chem Soc 1955: 1025; Life Sci 25: 1273 (1979); Trends Pharmacol Sci 11: 330 (1990)
Therapeutics:analgesic (topical), depletes Substance P, neurotoxic

Found: 205 nonactive as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [205]
Species: 4932
Condition: SSE1
Replicates: 2
Raw OD Value: r im 0.4295±0.0214253
Normalized OD Score: sc h 0.9949±0.00997764
Z-Score: -0.1346±0.254408
p-Value: 0.85851
Z-Factor: -52.2626
Fitness Defect: 0.1526
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2008-05-01 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00073
Plate DMSO Control (-):0.4094±0.01548
Plate Z-Factor:0.8765
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DBLink | Rows returned: 4
2548 N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide
1548942 (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide
1548943 (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide
6440227 (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-2,8-dimethyl-non-6-enamide

internal high similarity DBLink | Rows returned: 0

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

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