COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380518
Chemical Name: ethyl(5E)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-(3,5-dichloro-2-methoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C(C)(C)C)S/C(=C/c2cc(Cl)cc(c2OC)Cl)/C1=O

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Molecular Weight: 534.46
Empirical Formula: C26H25Cl2NO5S

Physical State: Dry powder
Available Amount: 1073 mg

Lipinsky:
logP: 6.977
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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