COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK157566
Chemical Name: 2-[(2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-4,6-diiodophenoxy)methyl]benzonitrile
Smiles: C=CCN1C(=O)S/C(=C/c2cc(I)cc(c2OCc2ccccc2C#N)I)/C1=O

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Molecular Weight: 628.23
Empirical Formula: C21H14I2N2O3S

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 6.309
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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