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Compound InformationSONAR Target prediction
Name:

S-Nitrosoglutathione

Unique Identifier:LOPAC 01085
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H16N4O7S
Molecular Weight:320.196 g/mol
X log p:-2.695  (online calculus)
Lipinksi Failures1
TPSA123.01
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:13
Canonical Smiles:NC(CCC(=O)NC(CSN=O)C(=O)NCC(O)=O)C(O)=O
Class:Nitric Oxide
Action:Donor

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CLN3
Replicates: 2
Raw OD Value: r im 0.6640±0.0046669
Normalized OD Score: sc h 1.0013±0.00395146
Z-Score: 0.0339±0.130167
p-Value: 0.926706
Z-Factor: -7.31407
Fitness Defect: 0.0761
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-05-08 YYYY-MM-DD
Plate CH Control (+):0.048424999999999996±0.00168
Plate DMSO Control (-):0.674725±0.04792
Plate Z-Factor:0.7519
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DBLink | Rows returned: 5
3514 2-amino-4-[[1-(carboxymethylcarbamoyl)-2-nitrososulfanyl-ethyl]carbamoyl]butanoic acid
104858 (2S)-2-amino-4-[[(1R)-1-(carboxymethylcarbamoyl)-2-nitrososulfanyl-ethyl]carbamoyl]butanoic acid
6603946 (2R)-2-amino-4-[[(1S)-1-(carboxymethylcarbamoyl)-2-nitrososulfanyl-ethyl]carbamoyl]butanoic acid
6857718 (2S)-2-amino-4-[[(1R)-1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]carbamoyl]butanoate
7059524 (2S)-2-azaniumyl-4-[[(1R)-1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]carbamoyl]butanoate

internal high similarity DBLink | Rows returned: 0

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