COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868794
Chemical Name: 5-(1,3-benzodioxol-5-ylmethylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-dione
Smiles: CCCCC1(C)OC(=O)/C(=C/c2ccc3c(c2)OCO3)/C(=O)O1

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Molecular Weight: 318.33
Empirical Formula: C17H18O6

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.582
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 71
Number of rings: 3

     

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