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Compound InformationSONAR Target prediction
Name:

OCTOPAMINE HYDROCHLORIDE

Unique Identifier:SPE01500639
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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:alkaloid
Source:salivary glands of Octopus vulgaris; also Capsicum frutescens & Cyperus spp; ND-50
Therapeutics:adrenergic agonist

Found: 203 nonactive | as graph: single | with analogs [1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [203]
Species: 4932
Condition: SPO22
Replicates: 2
Raw OD Value: r im 0.3291±0.00424264
Normalized OD Score: sc h 0.9857±0.0418643
Z-Score: -0.1721±0.510925
p-Value: 0.721862
Z-Factor: -215.073
Fitness Defect: 0.3259
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2006-05-12 YYYY-MM-DD
Plate CH Control (+):0.038525000000000004±0.00035
Plate DMSO Control (-):0.3173±0.01747
Plate Z-Factor:0.8143
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DBLink | Rows returned: 81 2 Next >> 
4581 4-(2-amino-1-hydroxy-ethyl)phenol
20592 [2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium chloride
102484 4-(2-amino-1-hydroxy-ethyl)phenol hydrochloride
440266 4-[(1R)-2-amino-1-hydroxy-ethyl]phenol
448337 4-[(1S)-2-amino-1-hydroxy-ethyl]phenol
657354 4-(2-amino-1-hydroxy-ethyl)phenol; hydrogen(+1) cation; chloride

internal high similarity DBLink | Rows returned: 1
LOPAC 00135 1.0000

active | Cluster 15753 | Additional Members: 7 | Rows returned: 1
SPE01500436 0

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