COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL025911
Chemical Name: 5-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxybenzylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione
Smiles: CCCCC1(C)OC(=O)/C(=C/c2ccc(c(c2)OC)OCc2ccc3c(c2)OCO3)/C(=O)O1

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Molecular Weight: 454.48
Empirical Formula: C25H26O8

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 3.804
Rotatable bonds: 8
H-donors: 0
H-acceptors: 8
PSA: 89
Number of rings: 4

     

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