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Compound InformationSONAR Target prediction
Name:

S-Methyl-L-thiocitrulline acetate

Unique Identifier:LOPAC 00411
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9H19N3O4S
Molecular Weight:246.18 g/mol
X log p:-1.762  (online calculus)
Lipinksi Failures0
TPSA42.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:7
Canonical Smiles:CSC(=N)NCCCC(N)C(O)=O.CC(O)=O
Class:Nitric Oxide
Action:Inhibitor
Selectivity:NOS

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: NOP13
Replicates: 2
Raw OD Value: r im 0.7015±0.000494975
Normalized OD Score: sc h 1.0061±0.000555707
Z-Score: 0.2866±0.0156132
p-Value: 0.77442
Z-Factor: -6.33288
Fitness Defect: 0.2556
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-22 YYYY-MM-DD
Plate CH Control (+):0.0465±0.00178
Plate DMSO Control (-):0.672875±0.02898
Plate Z-Factor:0.8527
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 4071 | Additional Members: 12 | Rows returned: 0
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