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Compound InformationSONAR Target prediction
Name:

NOREPINEPHRINE

Unique Identifier:SPE01500436
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:159.098 g/mol
X log p:5.47  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:NCC(O)c1ccc(O)c(O)c1
Source:synthetic
Therapeutics:adrenergic agonist, antihypotensive
Generic_name:NORADRENALINE
Chemical_iupac_name:L-NOREPINEPHRINE
Drug_type:Experimental
Drugbank_id:EXPT02050
Drug_category:Phenylalanine Hydroxylase inhibitor
Organisms_affected:-1

Found: 204 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [204]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.8290±0.025668
Normalized OD Score: sc h 0.9922±0.00641643
Z-Score: -0.1174±0.127465
p-Value: 0.90693
Z-Factor: -11.1094
Fitness Defect: 0.0977
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:4|B5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.10125±0.01065
Plate DMSO Control (-):0.9452499999999998±0.01954
Plate Z-Factor:0.8785
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DBLink | Rows returned: 112 Next >> 
951 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol
5814 4-[(1S)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol
5923 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol hydrochloride
9488 [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]azanium chloride
439260 4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol
450781 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol

internal high similarity DBLink | Rows returned: 0

active | Cluster 15753 | Additional Members: 7 | Rows returned: 1
SPE01500639 0.454545454545455

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