COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL358686
Chemical Name: 2-{(E)-2-[5-bromo-3-methoxy-2-(prop-2-yn-1-yloxy)phenyl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Smiles: C#CCOc1c(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])cc(cc1OC)Br

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Molecular Weight: 422.19
Empirical Formula: C16H12BrN3O6

Physical State: Dry powder
Available Amount: 1069 mg

Lipinsky:
logP: 1.626
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 2

     

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