COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL370021
Chemical Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-[3-nitro-4-(piperidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)/C(=O)N1c1ccc2c(c1)OCO2

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Molecular Weight: 469.54
Empirical Formula: C22H19N3O5S2

Physical State: Dry powder
Available Amount: 1220 mg

Lipinsky:
logP: 6.578
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 145
Number of rings: 5

     

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