COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL415698
Chemical Name: 2-butyl-5-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-2-methyl-1,3-dioxane-4,6-dione
Smiles: CCCCC1(C)OC(=O)/C(=C/c2ccc(c(c2)OC)OCc2ccc(cc2)Cl)/C(=O)O1

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Molecular Weight: 444.91
Empirical Formula: C24H25ClO6

Physical State: Dry powder
Available Amount: 702 mg

Lipinsky:
logP: 4.538
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 71
Number of rings: 3

     

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