COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK999810
Chemical Name: 8-[(2E)-2-(3-bromo-4-hydroxy-5-methoxybenzylidene)hydrazinyl]-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cc(/C=N/Nc2nc3c(n2Cc2ccc(cc2)Cl)c(=O)n(c(=O)n3C)C)cc(c1O)Br

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Molecular Weight: 547.8
Empirical Formula: C22H20BrClN6O4

Available Amount: 0 mg

Lipinsky:
logP: 5.528
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 112
Number of rings: 4

     

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