COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547436
Chemical Name: methyl3-(6-bromo-4H-1,3-benzodioxin-8-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate
Smiles: COC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1cc(Br)cc2c1OCOC2

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Molecular Weight: 461.27
Empirical Formula: C21H17BrO7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.149
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 91
Number of rings: 4

     

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