COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL434866
Chemical Name: 1-(2-bromo-4,5-dimethoxyphenyl)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3,3-dimethoxypropan-1-one
Smiles: COC(C(c1cc(OC)c2c(c1OC)OCO2)C(=O)c1cc(OC)c(cc1Br)OC)OC

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Molecular Weight: 513.34
Empirical Formula: C22H25BrO9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.324
Rotatable bonds: 10
H-donors: 0
H-acceptors: 9
PSA: 90
Number of rings: 3

     

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