COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL370157
Chemical Name: ethyl(5Z)-5-[3-chloro-4-(cyanomethoxy)benzylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(c(c2)Cl)OCC#N)/C1=O

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Molecular Weight: 440.91
Empirical Formula: C22H17ClN2O4S

Physical State: Dry powder
Available Amount: 695 mg

Lipinsky:
logP: 5.009
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 3

     

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