COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042409
Chemical Name: 8-[benzyl(methyl)amino]-6-hydroxy-3-methyl-7-{2-methyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}-3,7-dihydro-2H-purin-2-one
Smiles: CC(Cn1c(nc2c1c(O)nc(=O)n2C)N(Cc1ccccc1)C)CSc1nnnn1c1ccccc1

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Molecular Weight: 517.61
Empirical Formula: C25H27N9O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.897
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 142
Number of rings: 5

     

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