COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK833986
Chemical Name: 8-[(2-chlorobenzyl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1CSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C

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Molecular Weight: 440.95
Empirical Formula: C22H21ClN4O2S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.625
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 4

     

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