COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL371519
Chemical Name: ethyl(5Z)-5-(3-bromo-4,5-dimethoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(Br)c(c(c2)OC)OC)/C1=O

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Molecular Weight: 490.37
Empirical Formula: C22H20BrNO5S

Physical State: Dry powder
Available Amount: 763 mg

Lipinsky:
logP: 5.4
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 3

     

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