COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK134392
Chemical Name: 2-[({[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(Nc1ccccc1C(=O)O)CSc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 513.96
Empirical Formula: C23H20ClN5O5S

Physical State: Dry powder
Available Amount: 294 mg

Lipinsky:
logP: 5.515
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 150
Number of rings: 4

     

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