COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK043965
Chemical Name: ethyl(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 395.44
Empirical Formula: C21H17NO5S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.941
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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