COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540790
Chemical Name: (5E)-2-(4-acetylpiperazin-1-yl)-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Smiles: CC(=O)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])O)/S1

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Molecular Weight: 376.39
Empirical Formula: C16H16N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.106
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 144
Number of rings: 3

     

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