COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL415661
Chemical Name: 2-tert-butyl-5-{4-[(4-chlorobenzyl)oxy]-3-ethoxybenzylidene}-2-methyl-1,3-dioxane-4,6-dione
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Cl)/C=C/1\C(=O)OC(OC1=O)(C)C(C)(C)C

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Molecular Weight: 458.94
Empirical Formula: C25H27ClO6

Physical State: Dry powder
Available Amount: 873 mg

Lipinsky:
logP: 4.703
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 71
Number of rings: 3

     

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