COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035764
Chemical Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/C1=O)C(=O)O

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Molecular Weight: 351.4
Empirical Formula: C15H13NO5S2

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 2.676
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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