COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003473
Chemical Name: methyl2-{[7-(2-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate
Smiles: COC(=O)C(Sc1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c(=O)n2C)C

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Molecular Weight: 408.87
Empirical Formula: C17H17ClN4O4S

Available Amount: 0 mg

Lipinsky:
logP: 3.449
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 3

     

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