COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL327071
Chemical Name: 4-(4-tert-butylpyridinium-1-yl)-2-oxo-5-{(E)-[2-(phenylcarbamothioyl)hydrazinylidene]methyl}-1,3-thiazol-3-ide
Smiles: S=C(Nc1ccccc1)N/N=C/c1sc(=O)[n-]c1[n+]1ccc(cc1)C(C)(C)C

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Molecular Weight: 411.55
Empirical Formula: C20H21N5OS2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 114
Number of rings: 3

     

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