COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559862
Chemical Name: {[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]sulfanyl}acetate
Smiles: [O-]C(=O)CSc1[nH+]c2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 394.84
Empirical Formula: C16H15ClN4O4S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 3.349
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 3

     

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