COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK255877
Chemical Name: 2-{(E)-2-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Smiles: C#CCOc1c(Br)cc(cc1OCC)/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-]

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Molecular Weight: 436.22
Empirical Formula: C17H14BrN3O6

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 1.637
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 2

     

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