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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 11 12 13 14 15 16 17 18 19 20  Next >> [23]
Species: 4932
Condition: MT2481-pdr1pdr3
Replicates: 2
Raw OD Value: r im 0.6692±0.00777817
Normalized OD Score: sc h 1.0489±0.0634758
Z-Score: 2.6379±3.39094
p-Value: 0.405116
Z-Factor: -3.82623
Fitness Defect: 0.9036
Bioactivity Statement: Outlier
Experimental Conditions
Library:Lopac
Plate Number and Position:8|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.04555±0.00109
Plate DMSO Control (-):0.651025±0.01278
Plate Z-Factor:0.9304
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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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