COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL371536
Chemical Name: ethyl(5Z)-5-(4-hydroxy-3-nitrobenzylidene)-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C)S/C(=C\c2ccc(c(c2)[N+](=O)[O-])O)/C1=O

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Molecular Weight: 454.46
Empirical Formula: C22H18N2O7S

Physical State: Dry powder
Available Amount: 644 mg

Lipinsky:
logP: 4.341
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 163
Number of rings: 3

     

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