COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL342698
Chemical Name: ethyl2-{6-bromo-4,5-dihydroxy-3-[(4-methylphenyl)carbonyl]-1-benzofuran-7-yl}-3-oxobutanoate
Smiles: CCOC(=O)C(c1c(Br)c(O)c(c2c1occ2C(=O)c1ccc(cc1)C)O)C(=O)C

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Molecular Weight: 475.29
Empirical Formula: C22H19BrO7

Physical State: Dry powder
Available Amount: 231 mg

Lipinsky:
logP: 4.426
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 114
Number of rings: 3

     

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