COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484930
Chemical Name: (2E)-3-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-ethoxyphenyl}-2-(4-chlorophenyl)prop-2-enenitrile
Smiles: CCOc1cc(cc(c1OCc1ccc(cc1Cl)Cl)Br)/C=C(\c1ccc(cc1)Cl)/C#N

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Molecular Weight: 537.67
Empirical Formula: C24H17BrCl3NO2

Physical State: Dry powder
Available Amount: 570 mg

Lipinsky:
logP: 8.978
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 42
Number of rings: 3

     

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