COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK073763
Chemical Name: ethyl(5E)-5-(4-nitrobenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(cc2)[N+](=O)[O-])/C1=O

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Molecular Weight: 396.42
Empirical Formula: C20H16N2O5S

Physical State: Dry powder
Available Amount: 467 mg

Lipinsky:
logP: 4.599
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 3

     

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