COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL368965
Chemical Name: (5Z)-5-(3-ethoxy-2-hydroxy-5-nitrobenzylidene)-3-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one
Smiles: CCOc1ccc(cc1)N1C(=S)N/C(=C\c2cc(cc(c2O)OCC)[N+](=O)[O-])/C1=O

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Molecular Weight: 429.45
Empirical Formula: C20H19N3O6S

Physical State: Dry powder
Available Amount: 856 mg

Lipinsky:
logP: 5.1
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 148
Number of rings: 3

     

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