COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL326051
Chemical Name: 3-cyano-4-(2,4-dinitrophenyl)-5-(3-methylpyridinium-1-yl)-6-oxo-1,4,5,6-tetrahydropyridine-2-thiolate
Smiles: N#CC1=C([S-])NC(=O)C(C1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[n+]1cccc(c1)C

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Molecular Weight: 411.4
Empirical Formula: C18H13N5O5S

Available Amount: 0 mg

Lipinsky:
logP: -1.35
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 148
Number of rings: 3

     

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