COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK287137
Chemical Name: 2-({5-bromo-2-ethoxy-4-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]phenoxy}methyl)benzonitrile
Smiles: CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(cc1OCc1ccccc1C#N)Br

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Molecular Weight: 513.3
Empirical Formula: C22H17BrN4O6

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 3.402
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 146
Number of rings: 3

     

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