COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036765
Chemical Name: 4-[(E)-{2-[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]-2-ethoxyphenolate
Smiles: CCOc1cc(/C=N/Nc2[nH+]c3c(n2Cc2ccc(cc2)C)c(=O)n(c(=O)n3C)C)ccc1[O-]

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Molecular Weight: 462.51
Empirical Formula: C24H26N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.616
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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