COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007086
Chemical Name: 8-(diethylamino)-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(c1nc2c(n1CC(COc1ccc(cc1)C)O)c(=O)[nH]c(=O)n2C)CC

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Molecular Weight: 401.47
Empirical Formula: C20H27N5O4

Physical State: Dry powder
Available Amount: 23 mg

Lipinsky:
logP: 2.31
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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