COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049070
Chemical Name: 8-(3,5-dimethylpiperidin-1-yl)-6-hydroxy-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Smiles: CC1CC(C)CN(C1)c1nc2c(n1CCSc1nnnn1c1ccccc1)c(O)nc(=O)n2C

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Molecular Weight: 481.58
Empirical Formula: C22H27N9O2S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.309
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 142
Number of rings: 5

     

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