COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035666
Chemical Name: N-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-nitrobenzamide
Smiles: S=C1S/C(=C/c2nc3c([nH]2)cccc3)/C(=O)N1NC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 425.45
Empirical Formula: C18H11N5O4S2

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 3.328
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 181
Number of rings: 4

     

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