COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535669
Chemical Name: 8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)Cc1ccccc1

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Molecular Weight: 458.56
Empirical Formula: C26H30N6O2

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.523
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 64
Number of rings: 5

     

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