COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK293054
Chemical Name: (2E)-2-(1,3-benzodioxol-5-yl)-3-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enenitrile
Smiles: C#CCOc1ccc(cc1/C=C(\c1ccc2c(c1)OCO2)/C#N)Br

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Molecular Weight: 382.21
Empirical Formula: C19H12BrNO3

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 5.741
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 3

     

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