COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035856
Chemical Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC1CCN(CC1)C(=O)CCCN1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 432.56
Empirical Formula: C21H24N2O4S2

Physical State: Dry powder
Available Amount: 51 mg

Lipinsky:
logP: 3.52
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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