COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295999
Chemical Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)[N+](=O)[O-])c(=O)n(c(=O)n2C)C

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Molecular Weight: 412.45
Empirical Formula: C20H24N6O4

Physical State: Dry powder
Available Amount: 285 mg

Lipinsky:
logP: 2.859
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 107
Number of rings: 4

     

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