COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526304
Chemical Name: 8-{[3-(diethylamino)-2-hydroxypropoxy]methyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CC(COCc1nc2c(n1C)c(=O)n(c(=O)n2C)C)O)CC

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Saltdata: HCl
Molecular Weight: 353.42
Empirical Formula: C16H27N5O4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 0.289
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 2

     

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