COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158368
Chemical Name: ethyl(5Z)-5-(3-nitrobenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 396.42
Empirical Formula: C20H16N2O5S

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 4.72
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 3

     

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