COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055379
Chemical Name: 4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)phenolate
Smiles: [O-]c1ccc(cc1)c1[nH]c2c([nH+]1)n(C)c(=O)n(c2=O)C

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Molecular Weight: 272.26
Empirical Formula: C13H12N4O3

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 1.503
Rotatable bonds: 0
H-donors: 2
H-acceptors: 3
PSA: 93
Number of rings: 3

     

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