COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564823
Chemical Name: 8-[(2E)-2-(3-bromo-4-hydroxy-5-methoxybenzylidene)hydrazinyl]-6-hydroxy-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-2H-purin-2-one
Smiles: COc1cc(/C=N/Nc2nc3c(n2Cc2ccc(cc2)C)c(O)nc(=O)n3C)cc(c1O)Br

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Molecular Weight: 513.35
Empirical Formula: C22H21BrN6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.333
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 124
Number of rings: 4

     

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