COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL325998
Chemical Name: 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)C

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Molecular Weight: 308.34
Empirical Formula: C13H20N6O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -1.59
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 93
Number of rings: 3

     

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