COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK178789
Chemical Name: (2E)-2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)phenyl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Smiles: CCOc1cc(/C=C(/C(=O)NCC2CCCO2)\C#N)cc(c1OCc1ccc(cc1)[N+](=O)[O-])CC=C

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Molecular Weight: 491.54
Empirical Formula: C27H29N3O6

Physical State: Dry powder
Available Amount: 559 mg

Lipinsky:
logP: 3.87
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 3

     

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