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Compound InformationSONAR Target prediction
Name:

N-ACETYLASPARTIC ACID

Unique Identifier:SPE01504213
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:166.068 g/mol
X log p:-2.034  (online calculus)
Lipinksi Failures0
TPSA51.21
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:5
Canonical Smiles:CC(=O)NC(CC(O)=O)C(O)=O
Source:synthetic
Therapeutics:analeptic, neurostimulant

Found: 192 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [192]
Species: 4932
Condition: ELF1
Replicates: 2
Raw OD Value: r im 0.6563±0.00289914
Normalized OD Score: sc h 0.9980±0.000394681
Z-Score: -0.0833±0.01685
p-Value: 0.93364
Z-Factor: -119.817
Fitness Defect: 0.0687
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-07-11 YYYY-MM-DD
Plate CH Control (+):0.041249999999999995±0.00051
Plate DMSO Control (-):0.63915±0.03130
Plate Z-Factor:0.8353
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DBLink | Rows returned: 91 2 Next >> 
65065 (2S)-2-acetamidobutanedioic acid
97508 2-acetamidobutanedioic acid
306130 2-acetamido-3-methyl-butanedioic acid
568312 2-acetamido-2-methyl-butanedioic acid
774916 (2R)-2-acetamidobutanedioic acid
2042020 (2S)-2-acetamidobutanedioate

internal high similarity DBLink | Rows returned: 0

active | Cluster 12525 | Additional Members: 9 | Rows returned: 0
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