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Compound InformationSONAR Target prediction
Name:

S-(1,2-DICARBOXYETHYL)GLUTATHIONE

Unique Identifier:SPE01502216
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H23N3O10S
Molecular Weight:414.241 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:NC(CCC(=O)NC(CCSC(CC(O)=O)C(O)=O)C(=O)NCC(O)=O)C(O)=O
Source:rat heart and liver
Reference:Arzneimittel-Forsch 42:1482 (1992)
Therapeutics:antiinflammatory, antiallergy, mast cell degranulation inhibitor

Found: 104 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7263±0.00289914
Normalized OD Score: sc h 0.9958±0.00835737
Z-Score: -0.2299±0.449151
p-Value: 0.757078
Z-Factor: -112.158
Fitness Defect: 0.2783
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00082
Plate DMSO Control (-):0.7129749999999999±0.01080
Plate Z-Factor:0.9359
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 33 | Additional Members: 4 | Rows returned: 0

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