COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL327153
Chemical Name: 3-cyano-4-(2-nitrophenyl)-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Smiles: N#CC1=C([S-])NC(=O)C(C1c1ccccc1[N+](=O)[O-])[n+]1ccccc1

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Molecular Weight: 352.37
Empirical Formula: C17H12N4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -1.479
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 3

     

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