COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179458
Chemical Name: (2E)-2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)phenyl}-N-(3-methoxyphenyl)prop-2-enamide
Smiles: CCOc1cc(/C=C(/C(=O)Nc2cccc(c2)OC)\C#N)cc(c1OCc1ccc(cc1)[N+](=O)[O-])CC=C

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Molecular Weight: 513.55
Empirical Formula: C29H27N3O6

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 6.405
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 3

     

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