COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158400
Chemical Name: ethyl(5E)-5-[4-(methylsulfanyl)benzylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(cc2)SC)/C1=O

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Molecular Weight: 397.52
Empirical Formula: C21H19NO3S2

Physical State: Dry powder
Available Amount: 134 mg

Lipinsky:
logP: 5.306
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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