COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538909
Chemical Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCNCC1)O

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Molecular Weight: 444.49
Empirical Formula: C21H28N6O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.726
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 112
Number of rings: 4

     

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