COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK364667
Chemical Name: (2E)-3-{3-bromo-5-ethoxy-4-[(3-nitrobenzyl)oxy]phenyl}-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Smiles: CCOc1cc(/C=C(/C(=O)NCCc2c[nH]c3c2cccc3)\C#N)cc(c1OCc1cccc(c1)[N+](=O)[O-])Br

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Molecular Weight: 589.45
Empirical Formula: C29H25BrN4O5

Physical State: Dry powder
Available Amount: 372 mg

Lipinsky:
logP: 5.587
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 132
Number of rings: 4

     

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