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Compound InformationSONAR Target prediction
Name:

MELATONIN

Unique Identifier:SPE01500690
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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:alkaloid
Source:pineal gland
Therapeutics:sleep induction, modifies circadian rhythm

Found: 205 nonactive as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [205]
Species: 4932
Condition: NTH1
Replicates: 2
Raw OD Value: r im 0.6943±0.00190919
Normalized OD Score: sc h 0.9725±0.00856456
Z-Score: -1.4003±0.336682
p-Value: 0.173251
Z-Factor: -2.35231
Fitness Defect: 1.753
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:15|G5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-01-23 YYYY-MM-DD
Plate CH Control (+):0.0416±0.00043
Plate DMSO Control (-):0.678925±0.01512
Plate Z-Factor:0.9353
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 6
AC 22693 0.9043
LOPAC 00650 0.9043
SPE01500700 0.9043
LOPAC 00939 0.9495
AC 12536 1.0000
LOPAC 00520 1.0000

nonactive | Cluster 15603 | Additional Members: 14 | Rows returned: 5
LOPAC 00976 0.442622950819672
LOPAC 01058 0.358490566037736
SPE02300296 0.358490566037736
Prest312 0
LOPAC 00520 0

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