COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL371538
Chemical Name: ethyl(5Z)-5-[3-chloro-4-(prop-2-yn-1-yloxy)benzylidene]-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\c2ccc(c(c2)Cl)OCC#C)/C1=O)NC(=O)c1ccc(cc1)C

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Molecular Weight: 481.96
Empirical Formula: C25H20ClNO5S

Physical State: Dry powder
Available Amount: 687 mg

Lipinsky:
logP: 5.018
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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