COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003726
Chemical Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)[N+](=O)[O-])c(=O)[nH]c(=O)n2C

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Molecular Weight: 399.41
Empirical Formula: C18H21N7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.544
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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