COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527523
Chemical Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C

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Molecular Weight: 452.96
Empirical Formula: C20H25ClN4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.847
Rotatable bonds: 10
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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