COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149229
Chemical Name: 4-{(E)-[2-(1-benzyl-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)hydrazinylidene]methyl}-2-methoxyphenolate
Smiles: COc1cc(/C=N/Nc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)Cc2ccccc2)ccc1[O-]

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Molecular Weight: 434.45
Empirical Formula: C22H22N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.624
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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