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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: 2 active | as graph: single | with analogs << Back 1 2
Species: 4932
Condition: SAP30
Replicates: 2
Raw OD Value: r im 0.4988±0.078701
Normalized OD Score: sc h 0.7267±0.10335
Z-Score: -9.5514±2.92565
p-Value: 0.0000000000000364172
Z-Factor: -0.325558
Fitness Defect: 30.9437
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2006-03-08 YYYY-MM-DD
Plate CH Control (+):0.039349999999999996±0.00156
Plate DMSO Control (-):0.6638999999999999±0.01210
Plate Z-Factor:0.9374
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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
LOPAC 00135 1.0000

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

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