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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 1 2 3 4 5 6 7 8 9 10  Next >> [192]
Species: 4932
Condition: ARD1
Replicates: 2
Raw OD Value: r im 0.3980±0.0072832
Normalized OD Score: sc h 1.0123±0.00673616
Z-Score: 0.3363±0.204656
p-Value: 0.739316
Z-Factor: -12.2959
Fitness Defect: 0.302
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-07-10 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00057
Plate DMSO Control (-):0.36910000000000004±0.01513
Plate Z-Factor:0.8634
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DBLink | Rows returned: 9<< Back 1 2
4217221 2-acetamidobutanedioate
6451553 dipotassium 2-acetamidobutanedioate
6941837 (2R)-2-acetamidobutanedioate

internal high similarity DBLink | Rows returned: 0

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

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