COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK126752
Chemical Name: 2-[(4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzonitrile
Smiles: CCOc1cc(ccc1OCc1ccccc1C#N)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2

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Molecular Weight: 511.49
Empirical Formula: C28H21N3O7

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 3.965
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 127
Number of rings: 5

     

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