COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158451
Chemical Name: methyl(5E)-5-(3-hydroxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cccc(c2)O)/C1=O

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Molecular Weight: 353.4
Empirical Formula: C19H15NO4S

Physical State: Dry powder
Available Amount: 783 mg

Lipinsky:
logP: 3.702
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 100
Number of rings: 3

     

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