COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001089
Chemical Name: 2-[(4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile
Smiles: C#CCN1C(=O)S/C(=C/c2ccc(c(c2)OC)OCc2ccccc2C#N)/C1=O

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Molecular Weight: 404.45
Empirical Formula: C22H16N2O4S

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 3.796
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 104
Number of rings: 3

     

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