COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382324
Chemical Name: 5-{5-bromo-2-[(4-nitrobenzyl)oxy]benzylidene}-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Smiles: Brc1ccc(c(c1)/C=C/1\C(=O)OC(OC1=O)(C)C(C)(C)C)OCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 504.33
Empirical Formula: C23H22BrNO7

Physical State: Dry powder
Available Amount: 37 mg

Lipinsky:
logP: 4.578
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 107
Number of rings: 3

     

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