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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 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: SAP30
Replicates: 2
Raw OD Value: r im 0.8062±0.0109602
Normalized OD Score: sc h 0.9930±0.000150062
Z-Score: -0.6070±0.0517779
p-Value: 0.544118
Z-Factor: -3.45462
Fitness Defect: 0.6086
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2005-11-18 YYYY-MM-DD
Plate CH Control (+):0.03945±0.00129
Plate DMSO Control (-):0.79005±0.01014
Plate Z-Factor:0.9504
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DBLink | Rows returned: 151 2 3 Next >> 
2112 methyl 2-amino-3-(4-hydroxyphenyl)-2-methyl-propanoate
70652 methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
76956 methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate hydrochloride
76957 methyl 2-amino-3-(4-hydroxyphenyl)propanoate
81824 methyl (2S)-2-amino-3-(4-hydroxyphenyl)-2-methyl-propanoate dihydrochloride
81825 methyl (2R)-2-amino-3-(4-hydroxyphenyl)-2-methyl-propanoate

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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