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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 1 2 3 4 5 6 7 8 9 10  Next >> [23]
Species: 4932
Condition: CLN3
Replicates: 2
Raw OD Value: r im 0.6063±0.00777817
Normalized OD Score: sc h 0.9592±0.0140127
Z-Score: -1.4602±0.720088
p-Value: 0.195239
Z-Factor: -34.0839
Fitness Defect: 1.6335
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:8|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-05-08 YYYY-MM-DD
Plate CH Control (+):0.045425±0.00296
Plate DMSO Control (-):0.62435±0.06906
Plate Z-Factor:0.7014
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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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