COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK685740
Chemical Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Smiles: CCOc1cc(CCNC(=O)CSc2nc3c(n2Cc2cccc(c2)C(F)(F)F)c(=O)n(c(=O)n3C)C)ccc1OCC

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Molecular Weight: 619.66
Empirical Formula: C29H32F3N5O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.534
Rotatable bonds: 12
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 4

     

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