COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007586
Chemical Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(pyridin-3-ylmethoxy)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(OCc2cccnc2)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 411.85
Empirical Formula: C20H18ClN5O3

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 3.416
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 80
Number of rings: 4

     

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