COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK049465
Chemical Name: 1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1c(C)cc(cc1C)Oc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1

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Molecular Weight: 424.89
Empirical Formula: C22H21ClN4O3

Physical State: Dry powder
Available Amount: 451 mg

Lipinsky:
logP: 6.04
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 4

     

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