COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454848
Chemical Name: (2E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: CCCOc1c(Br)cc(cc1OC)/C=C(/S(=O)(=O)c1ccccc1)\C#N

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Molecular Weight: 436.33
Empirical Formula: C19H18BrNO4S

Physical State: Dry powder
Available Amount: 365 mg

Lipinsky:
logP: 4.627
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 84
Number of rings: 2

     

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