COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK841792
Chemical Name: 8-[benzyl(2-hydroxyethyl)amino]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN(c1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c(=O)n2C)Cc1ccccc1

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Molecular Weight: 439.9
Empirical Formula: C22H22ClN5O3

Physical State: Dry powder
Available Amount: 185 mg

Lipinsky:
logP: 3.041
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 90
Number of rings: 4

     

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