COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK769075
Chemical Name: 5-[({[1-(2-chlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Smiles: O=C(Nc1nn(nc1C(=O)N)c1ccccc1)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1Cl

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Molecular Weight: 580.03
Empirical Formula: C25H22ClN9O4S

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 3.543
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 186
Number of rings: 5

     

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