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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 91 92 93 94 95 96 97 98 99 100  Next >> [104]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.9100±0.00438406
Normalized OD Score: sc h 1.0146±0.0060246
Z-Score: 1.1330±0.278837
p-Value: 0.266412
Z-Factor: -3.45109
Fitness Defect: 1.3227
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 (+):0.09349999999999999±0.00405
Plate DMSO Control (-):0.9592499999999999±0.02350
Plate Z-Factor:0.9206
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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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