COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158468
Chemical Name: methyl(5E)-5-(4-bromobenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(cc2)Br)/C1=O

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Molecular Weight: 416.3
Empirical Formula: C19H14BrNO3S

Physical State: Dry powder
Available Amount: 423 mg

Lipinsky:
logP: 5.179
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 3

     

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