COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041953
Chemical Name: 4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])c1[nH]c2c([nH+]1)n(C)c(=O)n(c2=O)C

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Molecular Weight: 302.29
Empirical Formula: C14H14N4O4

Physical State: Dry powder
Available Amount: 214 mg

Lipinsky:
logP: 1.458
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 102
Number of rings: 3

     

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