COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035845
Chemical Name: ethyl4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoate
Smiles: CCOC(=O)CCCN1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 379.46
Empirical Formula: C17H17NO5S2

Physical State: Dry powder
Available Amount: 34 mg

Lipinsky:
logP: 3.006
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 122
Number of rings: 3

     

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