COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL371532
Chemical Name: ethyl(5Z)-5-[3-ethoxy-5-iodo-4-(prop-2-yn-1-yloxy)benzylidene]-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: C#CCOc1c(I)cc(cc1OCC)/C=C/1\SC(=C(C1=O)C(=O)OCC)NC(=O)c1ccc(cc1)C

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Molecular Weight: 617.46
Empirical Formula: C27H24INO6S

Physical State: Dry powder
Available Amount: 1416 mg

Lipinsky:
logP: 5.801
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 116
Number of rings: 3

     

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