COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL025915
Chemical Name: 2-butyl-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione
Smiles: CCCCC1(C)OC(=O)/C(=C/c2cc(I)c(c(c2)OC)O)/C(=O)O1

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Molecular Weight: 446.24
Empirical Formula: C17H19IO6

Physical State: Dry powder
Available Amount: 874 mg

Lipinsky:
logP: 2.638
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 82
Number of rings: 2

     

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