COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL141052
Chemical Name: 1,3-dimethyl-8-[(1E)-3-phenyltriaz-1-en-1-yl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c2nc([nH]c2c(=O)n(c1=O)C)/N=N/Nc1ccccc1

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Saltdata: 2H2O
Molecular Weight: 299.29
Empirical Formula: C13H13N7O2

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 2.576
Rotatable bonds: 0
H-donors: 2
H-acceptors: 2
PSA: 106
Number of rings: 3

     

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