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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 71 72 73 74 75 76 77 78 79 80  Next >> [103]
Species: 4932
Condition: SSE1
Replicates: 2
Raw OD Value: r im 0.4451±0.00480833
Normalized OD Score: sc h 1.0433±0.0121759
Z-Score: 1.1485±0.263359
p-Value: 0.258926
Z-Factor: -6.41164
Fitness Defect: 1.3512
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-05-01 YYYY-MM-DD
Plate CH Control (+):0.041±0.00107
Plate DMSO Control (-):0.397525±0.02290
Plate Z-Factor:0.8213
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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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