COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454855
Chemical Name: (2E)-3-[2-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: CCOc1cc(/C=C(/S(=O)(=O)c2ccccc2)\C#N)c(cc1OC(C)C)Br

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Molecular Weight: 450.35
Empirical Formula: C20H20BrNO4S

Physical State: Dry powder
Available Amount: 470 mg

Lipinsky:
logP: 5.373
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 84
Number of rings: 2

     

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