COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076640
Chemical Name: 7-butyl-8-(decylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCCSc1nc2c(n1CCCC)c(=O)[nH]c(=O)n2C

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Molecular Weight: 394.58
Empirical Formula: C20H34N4O2S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 7.006
Rotatable bonds: 13
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 2

     

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