COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL371525
Chemical Name: ethyl(5Z)-5-[3-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(c(c2)Cl)OCC(=O)OCC)/C1=O

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Molecular Weight: 487.96
Empirical Formula: C24H22ClNO6S

Physical State: Dry powder
Available Amount: 765 mg

Lipinsky:
logP: 5.127
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 116
Number of rings: 3

     

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