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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 81 82 83 84 85 86 87 88 89 90  Next >> [103]
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6463±0.0136472
Normalized OD Score: sc h 0.9659±0.00855159
Z-Score: -1.1226±0.227424
p-Value: 0.267734
Z-Factor: -16.5244
Fitness Defect: 1.3178
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.041124999999999995±0.00088
Plate DMSO Control (-):0.63395±0.03906
Plate Z-Factor:0.7952
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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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