COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378680
Chemical Name: ethyl(5Z)-5-(2-bromo-4-hydroxy-5-methoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(OC)c(cc2Br)O)/C1=O

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Molecular Weight: 476.35
Empirical Formula: C21H18BrNO5S

Physical State: Dry powder
Available Amount: 495 mg

Lipinsky:
logP: 5.456
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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