COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK017642
Chemical Name: 8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)n1nc(cc1C)C)COc1ccccc1

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Molecular Weight: 410.43
Empirical Formula: C20H22N6O4

Physical State: Dry powder
Available Amount: 264 mg

Lipinsky:
logP: 2.896
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 114
Number of rings: 4

     

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