COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK744443
Chemical Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-(1-oxo-1-phenylbutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC(n1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCN(CC1)C)C(=O)c1ccccc1

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Molecular Weight: 424.5
Empirical Formula: C22H28N6O3

Physical State: Dry powder
Available Amount: 323 mg

Lipinsky:
logP: 2.104
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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