COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK030089
Chemical Name: 2-[(2-ethoxy-4-{(Z)-[2,4,6-trioxo-1-(prop-2-en-1-yl)tetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Smiles: C=CCN1C(=O)NC(=O)/C(=C/c2ccc(c(c2)OCC)OCc2ccccc2C#N)/C1=O

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Molecular Weight: 431.45
Empirical Formula: C24H21N3O5

Physical State: Dry powder
Available Amount: 845 mg

Lipinsky:
logP: 3.217
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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