COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK023939
Chemical Name: 8-(butan-2-ylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCn1c(SC(CC)C)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 352.5
Empirical Formula: C17H28N4O2S

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 5.228
Rotatable bonds: 9
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 2

     

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