COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045995
Chemical Name: 6-hydroxy-3-methyl-7-pentyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)c1ccccc1

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Molecular Weight: 396.49
Empirical Formula: C21H28N6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.123
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 77
Number of rings: 4

     

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