COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042798
Chemical Name: 4-[(4-bromo-2-{(Z)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoicacid
Smiles: C#CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc(cc2)C(=O)O)/C1=O

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Molecular Weight: 472.32
Empirical Formula: C21H14BrNO5S

Physical State: Dry powder
Available Amount: 49 mg

Lipinsky:
logP: 5.306
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 109
Number of rings: 3

     

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