COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL326574
Chemical Name: 3-cyano-4-(2,4-dinitrophenyl)-5-(pyridinium-1-yl)-6-thioxo-1,4,5,6-tetrahydropyridine-2-thiolate
Smiles: N#CC1=C([S-])NC(=S)C(C1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[n+]1ccccc1

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Molecular Weight: 413.44
Empirical Formula: C17H11N5O4S2

Available Amount: 0 mg

Lipinsky:
logP: -1.508
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 163
Number of rings: 3

     

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