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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: 1 active | as graph: single | with analogs
Species: 4932
Condition: VPH1
Replicates: 2
Raw OD Value: r im 0.2878±0.0181726
Normalized OD Score: sc h 0.7710±0.0198238
Z-Score: -4.1260±0.111247
p-Value: 0.0000389716
Z-Factor: 0.103087
Fitness Defect: 10.1527
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2008-03-01 YYYY-MM-DD
Plate CH Control (+):0.04005±0.00050
Plate DMSO Control (-):0.358325±0.01802
Plate Z-Factor:0.8503
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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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