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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 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: ABP1
Replicates: 2
Raw OD Value: r im 0.6804±0.00890955
Normalized OD Score: sc h 0.9682±0.00453186
Z-Score: -1.6251±0.160765
p-Value: 0.106385
Z-Factor: -1.63699
Fitness Defect: 2.2407
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:15|G5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2007-12-20 YYYY-MM-DD
Plate CH Control (+):0.04195±0.00054
Plate DMSO Control (-):0.67745±0.01526
Plate Z-Factor:0.9240
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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

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

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