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Compound InformationSONAR Target prediction
Name:

(±)-Octopamine hydrochloride

Unique Identifier:LOPAC 00135
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C8ClH12NO2
Molecular Weight:177.544 g/mol
X log p:7.337  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:Cl.NCC(O)c1ccc(O)cc1
Class:Adrenoceptor
Action:Agonist
Selectivity:alpha

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: DEP1
Replicates: 2
Raw OD Value: r im 0.6195±0.00678822
Normalized OD Score: sc h 1.0080±0.0160106
Z-Score: 0.3141±0.642872
p-Value: 0.66518
Z-Factor: -6.63328
Fitness Defect: 0.4077
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-11-16 YYYY-MM-DD
Plate CH Control (+):0.040525±0.00148
Plate DMSO Control (-):0.59825±0.01150
Plate Z-Factor:0.9138
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DBLink | Rows returned: 8<< Back 1 2
6918910 [(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium
6950152 [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium

internal high similarity DBLink | Rows returned: 1
SPE01500639 1.0000

active | Cluster 15753 | Additional Members: 7 | Rows returned: 2
SPE01500639 0.454545454545455
SPE01500436 0

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