COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149798
Chemical Name: 8-(heptylsulfanyl)-6-hydroxy-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCSc1nc2c(n1CC(COc1ccccc1)O)c(O)nc(=O)n2C

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Molecular Weight: 446.57
Empirical Formula: C22H30N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.873
Rotatable bonds: 13
H-donors: 2
H-acceptors: 4
PSA: 125
Number of rings: 3

     

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