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Compound InformationSONAR Target prediction
Name:

Thiocitrulline

Unique Identifier:LOPAC 00469
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C6H13N3O2S
Molecular Weight:178.149 g/mol
X log p:-2.13  (online calculus)
Lipinksi Failures0
TPSA49.16
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:6
Canonical Smiles:NC(CCCNC(N)=S)C(O)=O
Class:Nitric Oxide
Action:Inhibitor
Selectivity:nNOS, eNOS

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: SMI1
Replicates: 2
Raw OD Value: r im 0.6974±0.0469519
Normalized OD Score: sc h 1.0272±0.0130861
Z-Score: 0.7585±0.417715
p-Value: 0.467596
Z-Factor: -3.05875
Fitness Defect: 0.7602
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:16|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-11-15 YYYY-MM-DD
Plate CH Control (+):0.0398±0.00081
Plate DMSO Control (-):0.66595±0.02265
Plate Z-Factor:0.9005
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DBLink | Rows returned: 5
2733514 (2S)-2-amino-5-(carbamothioylamino)pentanoic acid
2734085 (2S)-2-amino-5-(carbamothioylamino)pentanoic acid dihydrochloride
3353976 2-amino-5-(carbamothioylamino)pentanoic acid
6604020 (2R)-2-amino-5-(carbamothioylamino)pentanoic acid
6992122 (2S)-2-azaniumyl-5-(carbamothioylamino)pentanoate

internal high similarity DBLink | Rows returned: 0

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