COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK038241
Chemical Name: 1-(4-chlorobenzyl)-8-(2,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)Oc1cc(C)ccc1C

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Molecular Weight: 424.89
Empirical Formula: C22H21ClN4O3

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 5.804
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 4

     

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