COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041942
Chemical Name: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-7-{3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1CCCSc1nnnn1c1ccccc1)c(O)nc(=O)n2C

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Molecular Weight: 496.6
Empirical Formula: C22H28N10O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.96
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 146
Number of rings: 5

     

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