COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK529848
Chemical Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)c1nc2c(n1C(C(=O)C)C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 348.41
Empirical Formula: C16H24N6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.139
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 3

     

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