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Compound InformationSONAR Target prediction
Name:

L-3,4-Dihydroxyphenylalanine methyl ester hydrochloride

Unique Identifier:LOPAC 00822
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10ClH14NO4
Molecular Weight:233.564 g/mol
X log p:6.221  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:Cl.COC(=O)C(N)Cc1ccc(O)c(O)c1
Class:Dopamine
Action:Precursor

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 Next >> [24]
Species: 4932
Condition: WHI3
Replicates: 2
Raw OD Value: r im 0.7181±0.0239709
Normalized OD Score: sc h 0.9844±0.0323859
Z-Score: -0.4418±1.10367
p-Value: 0.478274
Z-Factor: -12.9493
Fitness Defect: 0.7376
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:5|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.044700000000000004±0.00072
Plate DMSO Control (-):0.6693499999999999±0.04074
Plate Z-Factor:0.7407
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DBLink | Rows returned: 7<< Back 1 2
6942173 [(1R)-2-(3,4-dihydroxyphenyl)-1-methoxycarbonyl-ethyl]azanium

internal high similarity DBLink | Rows returned: 3
BTB 06642 0.9077
LOPAC 01043 0.9077
RJC 01672 0.9077

active | Cluster 12980 | Additional Members: 10 | Rows returned: 2
SPE01502206 0.55
LOPAC 01089 0.55

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