COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL369473
Chemical Name: ethyl(5Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-(3-hydroxy-4-methoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C(C)(C)C)S/C(=C\c2ccc(c(c2)O)OC)/C1=O

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Molecular Weight: 481.57
Empirical Formula: C26H27NO6S

Physical State: Dry powder
Available Amount: 972 mg

Lipinsky:
logP: 4.857
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 127
Number of rings: 3

     

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