COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806006
Chemical Name: 7-(2-chlorobenzyl)-8-[(2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CSc1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c(=O)n2C)O

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Molecular Weight: 380.85
Empirical Formula: C16H17ClN4O3S

Physical State: Dry powder
Available Amount: 213 mg

Lipinsky:
logP: 2.722
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 112
Number of rings: 3

     

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