COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL323999
Chemical Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(2-hydroxyethyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C

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Molecular Weight: 426.88
Empirical Formula: C17H19ClN4O5S

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 2.094
Rotatable bonds: 9
H-donors: 3
H-acceptors: 5
PSA: 142
Number of rings: 3

     

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