COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK362852
Chemical Name: ethyl(2Z)-2-cyano-3-(3-ethoxy-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)prop-2-enoate
Smiles: CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)/C=C(\C(=O)OCC)/C#N

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Molecular Weight: 415.47
Empirical Formula: C21H21NO6S

Physical State: Dry powder
Available Amount: 197 mg

Lipinsky:
logP: 3.817
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 111
Number of rings: 2

     

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