COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL133320
Chemical Name: methyl4-({(1E)-3-ethoxy-2-[(4-methylphenyl)sulfonyl]-3-oxoprop-1-en-1-yl}amino)benzoate
Smiles: CCOC(=O)/C(=C\Nc1ccc(cc1)C(=O)OC)/S(=O)(=O)c1ccc(cc1)C

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Molecular Weight: 403.46
Empirical Formula: C20H21NO6S

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 3.141
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 107
Number of rings: 2

     

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