COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK329772
Chemical Name: (2E)-3-{3-bromo-4-[(2-cyanobenzyl)oxy]phenyl}-2-cyano-N-(3-ethoxyphenyl)prop-2-enamide
Smiles: CCOc1cccc(c1)NC(=O)/C(=C/c1ccc(c(c1)Br)OCc1ccccc1C#N)/C#N

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Molecular Weight: 502.37
Empirical Formula: C26H20BrN3O3

Physical State: Dry powder
Available Amount: 27 mg

Lipinsky:
logP: 5.845
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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