COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL412273
Chemical Name: 5-(4-bromobenzylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-dione
Smiles: CCCCC1(C)OC(=O)/C(=C/c2ccc(cc2)Br)/C(=O)O1

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Molecular Weight: 353.21
Empirical Formula: C16H17BrO4

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 3.351
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 52
Number of rings: 2

     

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