COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK398352
Chemical Name: (2E)-3-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}-2-(4-nitrophenyl)prop-2-enenitrile
Smiles: COc1cc(/C=C(\c2ccc(cc2)[N+](=O)[O-])/C#N)cc(c1OCc1ccccc1Cl)Br

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Molecular Weight: 499.75
Empirical Formula: C23H16BrClN2O4

Physical State: Dry powder
Available Amount: 246 mg

Lipinsky:
logP: 7.094
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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