COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL412278
Chemical Name: 2-butyl-2-methyl-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-1,3-dioxane-4,6-dione
Smiles: CCCCC1(C)OC(=O)/C(=C/c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])/C(=O)O1

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Molecular Weight: 425.44
Empirical Formula: C23H23NO7

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 3.791
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 107
Number of rings: 3

     

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