COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042050
Chemical Name: 7-butyl-3-methyl-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 296.39
Empirical Formula: C13H20N4O2S

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 3.103
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 2

     

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