COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540959
Chemical Name: methyl3-(6-bromo-4H-1,3-benzodioxin-8-yl)-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]propanoate
Smiles: COC(=O)CC(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O)c1cc(Br)cc2c1OCOC2

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Molecular Weight: 601.36
Empirical Formula: C27H21BrO11

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.763
Rotatable bonds: 11
H-donors: 5
H-acceptors: 11
PSA: 172
Number of rings: 5

     

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