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Compound InformationSONAR Target prediction
Name:

Melatonin

Unique Identifier:LOPAC 00520
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C13H16N2O2
Molecular Weight:216.151 g/mol
X log p:8.385  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:COc1ccc2ncc(CCNC(C)=O)c2c1
Class:Melatonin
Action:Agonist

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.5177±0.0577037
Normalized OD Score: sc h 1.0224±0.0145151
Z-Score: 0.3617±0.403095
p-Value: 0.71775
Z-Factor: -3.51187
Fitness Defect: 0.3316
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.0449625±0.00068
Plate DMSO Control (-):0.6567000000000002±0.13731
Plate Z-Factor:-0.1642
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 4
SPE01500700 0.9043
LOPAC 00939 0.9474
AC 12536 1.0000
SPE01500690 1.0000

nonactive | Cluster 15603 | Additional Members: 14 | Rows returned: 5
LOPAC 00976 0.442622950819672
LOPAC 01058 0.358490566037736
SPE02300296 0.358490566037736
Prest312 0
SPE01500690 0

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