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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 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: ELF1
Replicates: 2
Raw OD Value: r im 0.6863±0.000424264
Normalized OD Score: sc h 0.9786±0.0123318
Z-Score: -0.8801±0.510851
p-Value: 0.409168
Z-Factor: -3.64964
Fitness Defect: 0.8936
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:15|G5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2008-07-11 YYYY-MM-DD
Plate CH Control (+):0.041249999999999995±0.00065
Plate DMSO Control (-):0.692325±0.01247
Plate Z-Factor:0.9372
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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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