COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428093
Chemical Name: (5E)-3-benzyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2cc3OCOc3cc2[N+](=O)[O-])/C(=O)N1Cc1ccccc1

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Molecular Weight: 400.44
Empirical Formula: C18H12N2O5S2

Physical State: Dry powder
Available Amount: 132 mg

Lipinsky:
logP: 3.779
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 141
Number of rings: 4

     

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