COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149338
Chemical Name: 4-[(E)-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-9-ium-7-yl)acetyl]hydrazinylidene}methyl]-2-ethoxyphenolate
Smiles: CCOc1cc(/C=N/NC(=O)Cn2c[nH+]c3c2c(=O)n(C)c(=O)n3C)ccc1[O-]

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Molecular Weight: 400.39
Empirical Formula: C18H20N6O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.93
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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