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Compound InformationSONAR Target prediction
Name:

6-Chloromelatonin

Unique Identifier:LOPAC 00743
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C13ClH15N2O2
Molecular Weight:251.604 g/mol
X log p:7.025  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:COc1cc2c(CCNC(C)=O)cnc2cc1Cl
Class:Melatonin
Action:Agonist

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: NUM1
Replicates: 2
Raw OD Value: r im 0.7268±0.0271529
Normalized OD Score: sc h 0.9901±0.00179353
Z-Score: -0.6041±0.0517722
p-Value: 0.546058
Z-Factor: -7.26878
Fitness Defect: 0.605
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:3|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-11-30 YYYY-MM-DD
Plate CH Control (+):0.038349999999999995±0.00048
Plate DMSO Control (-):0.733425±0.01259
Plate Z-Factor:0.9423
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 6960 | Additional Members: 2 | Rows returned: 1
LOPAC 00939 0

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