COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL329297
Chemical Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)c1ccccc1)C

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Molecular Weight: 410.52
Empirical Formula: C22H30N6O2

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 3
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 64
Number of rings: 4

     

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