COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378681
Chemical Name: ethyl(5Z)-5-(3,5-dichloro-4-hydroxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(Cl)c(c(c2)Cl)O)/C1=O

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Molecular Weight: 436.31
Empirical Formula: C20H15Cl2NO4S

Physical State: Dry powder
Available Amount: 546 mg

Lipinsky:
logP: 5.429
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 100
Number of rings: 3

     

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