COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036870
Chemical Name: 2-bromo-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]-6-methoxyphenyl4-methylbenzenesulfonate
Smiles: COc1cc(/C=C(/c2ccc(cc2)[N+](=O)[O-])\C#N)cc(c1OS(=O)(=O)c1ccc(cc1)C)Br

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Molecular Weight: 529.37
Empirical Formula: C23H17BrN2O6S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 6.105
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 130
Number of rings: 3

     

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