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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: SQS1
Replicates: 2
Raw OD Value: r im 0.7087±0.0207182
Normalized OD Score: sc h 1.0153±0.0160393
Z-Score: 0.6768±0.630663
p-Value: 0.539508
Z-Factor: -5.83892
Fitness Defect: 0.6171
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:2005-05-21 YYYY-MM-DD
Plate CH Control (+):0.04935±0.00268
Plate DMSO Control (-):0.73065±0.06400
Plate Z-Factor:0.6026
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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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