COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562976
Chemical Name: 7-heptyl-6-hydroxy-3-methyl-8-(octylsulfanyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCCSc1nc2c(n1CCCCCCC)c(O)nc(=O)n2C

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Molecular Weight: 408.61
Empirical Formula: C21H36N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.187
Rotatable bonds: 15
H-donors: 1
H-acceptors: 2
PSA: 96
Number of rings: 2

     

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