COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL495721
Chemical Name: 5-[4-(diethylamino)benzylidene]-2-[4-(methylsulfanyl)phenyl]-1,3-dioxane-4,6-dione
Smiles: CCN(c1ccc(cc1)/C=C/1\C(=O)OC(OC1=O)c1ccc(cc1)SC)CC

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Molecular Weight: 397.49
Empirical Formula: C22H23NO4S

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 3.78
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 81
Number of rings: 3

     

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