COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK555763
Chemical Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)c1ccccc1)COc1ccccc1C

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Molecular Weight: 504.59
Empirical Formula: C27H32N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.924
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 94
Number of rings: 5

     

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