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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 91 92 93 94 95 96 97 98 99 100  Next >> [103]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.9520±0
Normalized OD Score: sc h 0.9910±0
Z-Score: 0.4545±0
p-Value: 0.649464
Z-Factor: -60.8714
Fitness Defect: 0.4316
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:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.0965±0.01034
Plate DMSO Control (-):0.9505±0.02853
Plate Z-Factor:0.8634
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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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