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Compound InformationSONAR Target prediction
Name:

alpha-Methyl-DL-tyrosine methyl ester hydrochloride

Unique Identifier:LOPAC 01043
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C11ClH16NO3
Molecular Weight:229.575 g/mol
X log p:7.114  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:Cl.COC(=O)C(C)(N)Cc1ccc(O)cc1
Class:Neurotransmission
Action:Inhibitor
Selectivity:Tyrosine hydroxylase

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 Next >> [24]
Species: 4932
Condition: tep1-2nd
Replicates: 2
Raw OD Value: r im 0.7800±0.0494268
Normalized OD Score: sc h 0.9957±0.0404571
Z-Score: -0.1710±1.53693
p-Value: 0.28413
Z-Factor: -537.573
Fitness Defect: 1.2583
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-07-07 YYYY-MM-DD
Plate CH Control (+):0.044125±0.00207
Plate DMSO Control (-):0.719775±0.02778
Plate Z-Factor:0.8687
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DBLink | Rows returned: 15<< Back 1 2 3
6923805 [(2S)-1-(4-hydroxyphenyl)-2-methoxycarbonyl-propan-2-yl]azanium
6930700 [(1R)-2-(4-hydroxyphenyl)-1-methoxycarbonyl-ethyl]azanium
6930701 [(1S)-2-(4-hydroxyphenyl)-1-methoxycarbonyl-ethyl]azanium

internal high similarity DBLink | Rows returned: 3
LOPAC 00822 0.9077
BTB 06642 1.0000
RJC 01672 1.0000

active | Cluster 367 | Additional Members: 6 | Rows returned: 0
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