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Compound InformationSONAR Target prediction
Name:

2-Iodomelatonin

Unique Identifier:LOPAC 00976
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C13H15IN2O2
Molecular Weight:343.056 g/mol
X log p:7.391  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:COc1ccc2nc(I)c(CCNC(C)=O)c2c1
Class:Melatonin
Action:Agonist

Found: 23 nonactive | as graph: single | with analogs [1] << Back 21 22 23
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.7083±0.0574171
Normalized OD Score: sc h 1.1614±0.141822
Z-Score: 4.6228±3.70099
p-Value: 0.0224362
Z-Factor: -2.8557
Fitness Defect: 3.7971
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:8|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.045950000000000005±0.00103
Plate DMSO Control (-):0.72935±0.15422
Plate Z-Factor:0.5627
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 15603 | Additional Members: 14 | Rows returned: 0
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