COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527058
Chemical Name: 7-benzyl-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C

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Molecular Weight: 400.55
Empirical Formula: C21H28N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.126
Rotatable bonds: 9
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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