COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL008033
Chemical Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)c1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C

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Molecular Weight: 462.94
Empirical Formula: C21H27ClN6O4

Physical State: Dry powder
Available Amount: 25 mg

Lipinsky:
logP: 1.661
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 103
Number of rings: 4

     

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