COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL418728
Chemical Name: (5Z)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-(3-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2cc3OCOc3cc2Cl)/C(=O)N1c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 420.85
Empirical Formula: C17H9ClN2O5S2

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 4.819
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 141
Number of rings: 4

     

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