COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL026828
Chemical Name: 2-[(E)-2-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Smiles: CCOc1cc(ccc1OCc1ccccc1F)/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-]

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Molecular Weight: 427.39
Empirical Formula: C21H18FN3O6

Available Amount: 0 mg

Lipinsky:
logP: 2.554
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 3

     

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