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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 [1] << Back 201 202 203 204 Next >> [204]
Species: 4932
Condition: VPH1
Replicates: 2
Raw OD Value: r im 0.4494±0.0113844
Normalized OD Score: sc h 0.9436±0.00497681
Z-Score: -1.0256±0.147915
p-Value: 0.307708
Z-Factor: -1.73088
Fitness Defect: 1.1786
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:19|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-03-01 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00037
Plate DMSO Control (-):0.413975±0.02125
Plate Z-Factor:0.8760
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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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