COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK534680
Chemical Name: (5E)-5-(3-bromobenzylidene)-3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCC1CCCCN1C(=O)CCN1C(=S)S/C(=C/c2cccc(c2)Br)/C1=O

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Molecular Weight: 467.45
Empirical Formula: C20H23BrN2O2S2

Physical State: Dry powder
Available Amount: 359 mg

Lipinsky:
logP: 4.546
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 98
Number of rings: 3

     

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