COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK180318
Chemical Name: (2E)-3-{3-bromo-5-ethoxy-4-[(3-nitrobenzyl)oxy]phenyl}-2-cyano-N,N-dimethylprop-2-enamide
Smiles: CCOc1cc(/C=C(/C(=O)N(C)C)\C#N)cc(c1OCc1cccc(c1)[N+](=O)[O-])Br

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Molecular Weight: 474.31
Empirical Formula: C21H20BrN3O5

Physical State: Dry powder
Available Amount: 24 mg

Lipinsky:
logP: 3.688
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 108
Number of rings: 2

     

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