COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419313
Chemical Name: 5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 337.31
Empirical Formula: C13H11N3O6S

Physical State: Dry powder
Available Amount: 274 mg

Lipinsky:
logP: 2.202
Rotatable bonds: 4
H-donors: 3
H-acceptors: 6
PSA: 165
Number of rings: 2

     

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