COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL317443
Chemical Name: methylN-{[1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinolin-4-yl]carbonyl}-beta-alaninate
Smiles: COC(=O)CCNC(=O)c1cn(c2cc(F)c(c(c2)F)F)c(=O)c2c1cccc2

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Molecular Weight: 404.35
Empirical Formula: C20H15F3N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.399
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 75
Number of rings: 3

     

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