COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484936
Chemical Name: (2E)-3-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-phenylprop-2-enenitrile
Smiles: COc1cc(/C=C(\c2ccccc2)/C#N)cc(c1OCc1ccc(cc1)[N+](=O)[O-])Br

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Molecular Weight: 465.3
Empirical Formula: C23H17BrN2O4

Physical State: Dry powder
Available Amount: 615 mg

Lipinsky:
logP: 6.45
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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