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Compound InformationSONAR Target prediction
Name:

ACETYLCYSTEINE

Unique Identifier:SPE01500105
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:155.132 g/mol
X log p:-1.484  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(=O)NC(CS)C(O)=O
Source:synthetic
Therapeutics:mucolytic

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 0.7528±0.00784888
Normalized OD Score: sc h 1.0100±0.00297837
Z-Score: 0.5328±0.169617
p-Value: 0.596836
Z-Factor: -5.69491
Fitness Defect: 0.5161
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.03925±0.00089
Plate DMSO Control (-):0.7198±0.01536
Plate Z-Factor:0.9260
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DBLink | Rows returned: 131 2 3 Next >> 
581 2-acetamido-3-sulfanyl-propanoic acid
12035 (2R)-2-acetamido-3-sulfanyl-propanoic acid
24178 calcium 2-acetamido-3-sulfanyl-propanoate
44591 sodium (2R)-2-acetamido-3-sulfanyl-propanoate
94364 (2S)-2-acetamido-3-sulfanyl-propanoic acid
134766 (2R)-2-acetamido-3-sulfanyl-propanoic acid hydrochloride

internal high similarity DBLink | Rows returned: 1
LOPAC 00353 1.0000

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