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Compound InformationSONAR Target prediction
Name:

N-Acetyl-5-hydroxytryptamine

Unique Identifier:LOPAC 00650
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12H14N2O2
Molecular Weight:204.141 g/mol
X log p:8.032  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(=O)NCCc1cnc2ccc(O)cc12
Class:Melatonin
Action:Precursor

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 Next >> [24]
Species: 4932
Condition: TEP1
Replicates: 2
Raw OD Value: r im 0.5939±0.00763675
Normalized OD Score: sc h 1.0068±0.0105925
Z-Score: 0.2359±0.379676
p-Value: 0.79401
Z-Factor: -10.0912
Fitness Defect: 0.2307
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-05-17 YYYY-MM-DD
Plate CH Control (+):0.045274999999999996±0.00138
Plate DMSO Control (-):0.56525±0.01860
Plate Z-Factor:0.9037
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 3
SPE01500690 0.9043
AC 22693 1.0000
SPE01500700 1.0000

active | Cluster 10596 | Additional Members: 6 | Rows returned: 0
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