COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK034449
Chemical Name: (2E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]-N-(3-nitrophenyl)prop-2-enamide
Smiles: CCOc1cc(/C=C(/C(=O)Nc2cccc(c2)[N+](=O)[O-])\C#N)cc(c1O)CC=C

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Molecular Weight: 393.4
Empirical Formula: C21H19N3O5

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 4.549
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 128
Number of rings: 2

     

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