COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035937
Chemical Name: 2-[(5E)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)acetamide
Smiles: COc1cc(ccc1OC)/C=C\1/SC(=S)N(C1=O)CC(=O)Nc1cc(ccc1O)[N+](=O)[O-]

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Molecular Weight: 475.5
Empirical Formula: C20H17N3O7S2

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 3.254
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 191
Number of rings: 3

     

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