COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419117
Chemical Name: (5E)-3-(3,4-dimethylphenyl)-5-[4-(2,4-dinitrophenoxy)-3-ethoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)C)C

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Molecular Weight: 551.6
Empirical Formula: C26H21N3O7S2

Physical State: Dry powder
Available Amount: 207 mg

Lipinsky:
logP: 5.73
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 187
Number of rings: 4

     

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