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Compound InformationSONAR Target prediction
Name:

6-Hydroxymelatonin

Unique Identifier:LOPAC 00939
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C13H16N2O3
Molecular Weight:232.151 g/mol
X log p:6.367  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:5
Canonical Smiles:COc1cc2c(CCNC(C)=O)cnc2cc1O
Class:Melatonin
Action:Metabolite

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: LGE1
Replicates: 2
Raw OD Value: r im 0.5425±0.044972
Normalized OD Score: sc h 1.0246±0.000702272
Z-Score: 0.8428±0.000554939
p-Value: 0.399324
Z-Factor: -2.22968
Fitness Defect: 0.918
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:8|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2005-11-29 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00225
Plate DMSO Control (-):0.5167±0.01618
Plate Z-Factor:0.8976
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 3
AC 12536 0.9474
LOPAC 00520 0.9474
SPE01500690 0.9495

active | Cluster 6960 | Additional Members: 2 | Rows returned: 0
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