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Compound InformationSONAR Target prediction
Name:

RAMELTEON

Unique Identifier:SPE01505817
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H21NO2
Molecular Weight:238.177 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CCC(=O)NCCC1CCc2ccc3OCCc3c12
Source:synthetic; TAK-375; M-II
Therapeutics:melatonin receptor agonist

Found: 103 nonactive | as graph: single | with analogs [1] << Back 101 102 103 Next >> [103]
Species: 4932
Condition: pdr_yCG196
Replicates: 2
Raw OD Value: r im 0.7955±0.0190919
Normalized OD Score: sc h 0.9750±0.0118927
Z-Score: -0.8377±0.404101
p-Value: 0.42109
Z-Factor: -2.30409
Fitness Defect: 0.8649
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:11|B3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.094±0.00885
Plate DMSO Control (-):0.9415±0.01494
Plate Z-Factor:0.9115
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 3341 | Additional Members: 1 | Rows returned: 0
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