COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL011017
Chemical Name: 8-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)CN1CCN(CC1)c1nc2c(n1CC(=C)C)c(=O)[nH]c(=O)n2C

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Molecular Weight: 428.92
Empirical Formula: C21H25ClN6O2

Available Amount: 0 mg

Lipinsky:
logP: 2.551
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 73
Number of rings: 4

     

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