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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 [1] << Back 101 102 103 104 Next >> [104]
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.9195±0.00494975
Normalized OD Score: sc h 0.9992±0.00990717
Z-Score: -0.0233±0.273065
p-Value: 0.846932
Z-Factor: -48.8969
Fitness Defect: 0.1661
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:22|F11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.08325±0.00411
Plate DMSO Control (-):0.9702500000000001±0.02742
Plate Z-Factor:0.9018
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 33 | Additional Members: 4 | Rows returned: 3
LOPAC 00664 0.421052631578947
SPE01502248 0.362068965517241
LOPAC 01085 0

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