COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK234883
Chemical Name: 8-(2-chlorophenoxy)-1,3-dimethyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Oc1nc2c(n1Cc1ccc(cc1)[N+](=O)[O-])c(=O)n(c(=O)n2C)C

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Molecular Weight: 441.83
Empirical Formula: C20H16ClN5O5

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 4.577
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 113
Number of rings: 4

     

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