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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 1 2 3 4 5 6 7 8 9 10  Next >> [103]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.4765±0.00233345
Normalized OD Score: sc h 1.0589±0.0142639
Z-Score: 1.7282±0.392334
p-Value: 0.095871
Z-Factor: -1.65871
Fitness Defect: 2.3448
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-02-05 YYYY-MM-DD
Plate CH Control (+):0.041874999999999996±0.00094
Plate DMSO Control (-):0.44520000000000004±0.01696
Plate Z-Factor:0.8477
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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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