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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 11 12 13 14 15 16 17 18 19 20  Next >> [104]
Species: 4932
Condition: CHS7
Replicates: 2
Raw OD Value: r im 0.5855±0.0194454
Normalized OD Score: sc h 1.0030±0.00598739
Z-Score: 0.0878±0.184924
p-Value: 0.896362
Z-Factor: -16.069
Fitness Defect: 0.1094
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-02-21 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00089
Plate DMSO Control (-):0.5615749999999999±0.01027
Plate Z-Factor:0.9362
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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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