COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK667200
Chemical Name: methyl4-[({[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 527.99
Empirical Formula: C24H22ClN5O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.425
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 139
Number of rings: 4

     

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