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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 2 3 4 5 6 7 8 9 10  Next >> [192]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7284±0.00141421
Normalized OD Score: sc h 1.0157±0.00230549
Z-Score: 0.8327±0.104393
p-Value: 0.40628
Z-Factor: -2.53466
Fitness Defect: 0.9007
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.04035±0.00048
Plate DMSO Control (-):0.708725±0.01147
Plate Z-Factor:0.9457
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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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