COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564017
Chemical Name: 2-[(E)-{2-[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]-6-methoxyphenolate
Smiles: COc1cccc(c1[O-])/C=N/Nc1[nH+]c2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 448.48
Empirical Formula: C23H24N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.299
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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