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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 21 22 23 24
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6462±0.0312541
Normalized OD Score: sc h 1.0278±0.00517294
Z-Score: 0.8297±0.0554911
p-Value: 0.407066
Z-Factor: -3.82088
Fitness Defect: 0.8988
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:3|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.045825000000000005±0.00080
Plate DMSO Control (-):0.701225±0.13565
Plate Z-Factor:0.2500
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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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