COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564889
Chemical Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CCc1ccc(cc1)OCC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)C)O

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Molecular Weight: 442.52
Empirical Formula: C22H30N6O4

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 1.084
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 106
Number of rings: 4

     

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