COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL025914
Chemical Name: 5-{[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene}-2-butyl-2-methyl-1,3-dioxane-4,6-dione
Smiles: CCCCC1(C)OC(=O)/C(=C/c2ccc(o2)c2ccc(cc2Br)C)/C(=O)O1

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Molecular Weight: 433.3
Empirical Formula: C21H21BrO5

Physical State: Dry powder
Available Amount: 800 mg

Lipinsky:
logP: 4.899
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 65
Number of rings: 3

     

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