COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540691
Chemical Name: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)Cc1ccccc1

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Molecular Weight: 452.6
Empirical Formula: C25H36N6O2

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.295
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 73
Number of rings: 4

     

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