COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035572
Chemical Name: (5E)-3-[(2,4-dinitrophenyl)amino]-5-(4-hydroxy-3-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(ccc1O)/C=C\1/SC(=S)N(C1=O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 448.44
Empirical Formula: C17H12N4O7S2

Physical State: Dry powder
Available Amount: 43 mg

Lipinsky:
logP: 4.153
Rotatable bonds: 4
H-donors: 2
H-acceptors: 7
PSA: 210
Number of rings: 3

     

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