COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007432
Chemical Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)c1nc2c(n1CC(COc1ccc(cc1)C)O)c(=O)[nH]c(=O)n2C

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Molecular Weight: 458.52
Empirical Formula: C22H30N6O5

Available Amount: 0 mg

Lipinsky:
logP: 0.636
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 123
Number of rings: 4

     

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