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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 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.4829±0.097439
Normalized OD Score: sc h 0.9255±0.122768
Z-Score: -1.3015±1.89452
p-Value: 0.362856
Z-Factor: -37.2633
Fitness Defect: 1.0137
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:3|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.50 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.04536250000000001±0.00326
Plate DMSO Control (-):0.687175±0.17262
Plate Z-Factor:-0.1671
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

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