COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540153
Chemical Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCNCC1)O

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Molecular Weight: 428.49
Empirical Formula: C21H28N6O4

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 1.042
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 111
Number of rings: 4

     

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