COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035852
Chemical Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)butanamide
Smiles: O=C(Nc1ccc(cc1O)[N+](=O)[O-])CCCN1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 487.51
Empirical Formula: C21H17N3O7S2

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 4.31
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 191
Number of rings: 4

     

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