COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL015577
Chemical Name: 2-({2-methoxy-4-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]phenoxy}methyl)benzonitrile
Smiles: COc1cc(ccc1OCc1ccccc1C#N)/C=C/c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]

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Molecular Weight: 420.38
Empirical Formula: C21H16N4O6

Physical State: Dry powder
Available Amount: 74 mg

Lipinsky:
logP: 1.719
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 146
Number of rings: 3

     

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