COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545118
Chemical Name: methyl3-(6-bromo-4H-1,3-benzodioxin-8-yl)-3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]propanoate
Smiles: COC(=O)CC(c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O)c1cc(Br)cc2c1OCOC2

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Molecular Weight: 553.36
Empirical Formula: C27H21BrO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.468
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 111
Number of rings: 5

     

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