COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428326
Chemical Name: {(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}aceticacid
Smiles: [O-][N+](=O)c1cc2OCOc2cc1/C=C/1\SC(=S)N(C1=O)CC(=O)O

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Molecular Weight: 368.35
Empirical Formula: C13H8N2O7S2

Physical State: Dry powder
Available Amount: 136 mg

Lipinsky:
logP: 1.756
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 179
Number of rings: 3

     

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