COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427380
Chemical Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2cc3OCOc3cc2Br)/C(=O)N1C1CCCCC1

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Molecular Weight: 426.35
Empirical Formula: C17H16BrNO3S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 4.954
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 96
Number of rings: 4

     

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