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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 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: PPZ1
Replicates: 2
Raw OD Value: r im 0.7784±0.0104652
Normalized OD Score: sc h 1.0146±0.00866431
Z-Score: 0.7340±0.415518
p-Value: 0.48192
Z-Factor: -3.82391
Fitness Defect: 0.73
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2006-05-17 YYYY-MM-DD
Plate CH Control (+):0.037599999999999995±0.00206
Plate DMSO Control (-):0.74945±0.01106
Plate Z-Factor:0.9397
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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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