COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL435044
Chemical Name: (2E)-1-(2-bromo-4,5-dimethoxyphenyl)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-en-1-one
Smiles: COc1cc(C(=O)/C=C/c2cc3OCOc3c(c2OC)OC)c(cc1OC)Br

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Molecular Weight: 451.27
Empirical Formula: C20H19BrO7

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 5.24
Rotatable bonds: 7
H-donors: 0
H-acceptors: 7
PSA: 72
Number of rings: 3

     

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