COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427887
Chemical Name: (5E)-5-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)C

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Molecular Weight: 447.45
Empirical Formula: C18H13N3O7S2

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 1.691
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 187
Number of rings: 3

     

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