COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149584
Chemical Name: 6-hydroxy-3-methyl-7-(3-methylbenzyl)-8-(octadecylsulfanyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCCCCCCCCCCCCSc1nc2c(n1Cc1cccc(c1)C)c(O)nc(=O)n2C

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Molecular Weight: 554.84
Empirical Formula: C32H50N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 11.549
Rotatable bonds: 21
H-donors: 1
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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