COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK773556
Chemical Name: N-(2-cyano-4,5-diethoxyphenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Smiles: CCOc1cc(NC(=O)CSc2nc3c(n2C)c(=O)n(c(=O)n3C)C)c(cc1OCC)C#N

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Molecular Weight: 472.52
Empirical Formula: C21H24N6O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.161
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 3

     

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