COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL133294
Chemical Name: methyl(2E)-2-[(4-tert-butylphenyl)sulfonyl]-3-[(4-ethoxyphenyl)amino]prop-2-enoate
Smiles: CCOc1ccc(cc1)N/C=C(/S(=O)(=O)c1ccc(cc1)C(C)(C)C)\C(=O)OC

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Molecular Weight: 417.53
Empirical Formula: C22H27NO5S

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 3.908
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 90
Number of rings: 2

     

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