COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL435966
Chemical Name: (2E)-1-(4-bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)c2c(OC)c(OC)c3c(c2Br)OCO3)ccc1OC

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Molecular Weight: 451.27
Empirical Formula: C20H19BrO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.997
Rotatable bonds: 7
H-donors: 0
H-acceptors: 7
PSA: 72
Number of rings: 3

     

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