COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK393538
Chemical Name: 2-tert-butyl-5-{3-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-2-methyl-1,3-dioxane-4,6-dione
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C/1\C(=O)OC(OC1=O)(C)C(C)(C)C

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Molecular Weight: 469.49
Empirical Formula: C25H27NO8

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 3.838
Rotatable bonds: 5
H-donors: 0
H-acceptors: 8
PSA: 116
Number of rings: 3

     

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