COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK679067
Chemical Name: 3-{(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoicacid
Smiles: OC(=O)CCN1C(=O)/C(=C\c2cc3OCOc3cc2Br)/SC1=S

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Molecular Weight: 416.27
Empirical Formula: C14H10BrNO5S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.7
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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