COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566812
Chemical Name: 2-bromo-4-[(E)-{2-[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]-6-methoxyphenolate
Smiles: COc1cc(/C=N/Nc2[nH+]c3c(n2Cc2ccccc2Cl)c(=O)n(c(=O)n3C)C)cc(c1[O-])Br

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Molecular Weight: 547.8
Empirical Formula: C22H20BrClN6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.528
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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