COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL455979
Chemical Name: ethyl(2E)-3-[4-({[(5-bromo-2-methylphenyl)sulfanyl]acetyl}oxy)-3-ethoxyphenyl]-2-cyanoprop-2-enoate
Smiles: CCOc1cc(ccc1OC(=O)CSc1cc(Br)ccc1C)/C=C(/C(=O)OCC)\C#N

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Molecular Weight: 504.4
Empirical Formula: C23H22BrNO5S

Available Amount: 0 mg

Lipinsky:
logP: 5.618
Rotatable bonds: 11
H-donors: 0
H-acceptors: 5
PSA: 110
Number of rings: 2

     

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