COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK572555
Chemical Name: 2-[(E)-{2-[7-(4-fluorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-9-ium-8-yl]hydrazinylidene}methyl]-6-methoxyphenolate
Smiles: COc1cccc(c1[O-])/C=N/Nc1[nH+]c2c(n1Cc1ccc(cc1)F)c(O)nc(=O)n2C

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Molecular Weight: 438.42
Empirical Formula: C21H19FN6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.831
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 128
Number of rings: 4

     

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