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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 91 92 93 94 95 96 97 98 99 100  Next >> [205]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7575±0.00410122
Normalized OD Score: sc h 1.0100±0.0100843
Z-Score: 1.1933±0.579067
p-Value: 0.271046
Z-Factor: -2.76168
Fitness Defect: 1.3055
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:18|A10
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09900000000000002±0.01066
Plate DMSO Control (-):0.9122500000000001±0.02653
Plate Z-Factor:0.8552
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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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