COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL326554
Chemical Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-[2-(4-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)c1nc2c(n1CC(=O)c1ccc(cc1)[N+](=O)[O-])c(=O)[nH]c(=O)n2C

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Molecular Weight: 427.42
Empirical Formula: C19H21N7O5

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 0.271
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 136
Number of rings: 4

     

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