COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL026835
Chemical Name: 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Smiles: COc1cc(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])cc(c1OCc1cccc(c1)F)Br

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Molecular Weight: 492.26
Empirical Formula: C20H15BrFN3O6

Available Amount: 0 mg

Lipinsky:
logP: 2.775
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 3

     

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