COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540420
Chemical Name: 8-(dodecylsulfanyl)-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCCCCSc1nc2c(n1CC=C)c(=O)[nH]c(=O)n2C

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Molecular Weight: 406.59
Empirical Formula: C21H34N4O2S

Physical State: Dry powder
Available Amount: 264 mg

Lipinsky:
logP: 7.302
Rotatable bonds: 14
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 2

     

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