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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 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: MRC1
Replicates: 2
Raw OD Value: r im 0.8422±0.0019799
Normalized OD Score: sc h 1.0071±0.0109607
Z-Score: 0.4835±0.751365
p-Value: 0.636042
Z-Factor: -8.00356
Fitness Defect: 0.4525
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.038775000000000004±0.17255
Plate DMSO Control (-):0.824±0.01123
Plate Z-Factor:0.9546
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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

active | Cluster 15603 | Additional Members: 14 | Rows returned: 1
LOPAC 00976 0.442622950819672

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