COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320116
Chemical Name: ethyl4-{[1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinolin-4-yl]carbonyl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)c1cn(c2cc(F)c(c(c2)F)F)c(=O)c2c1cccc2

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Molecular Weight: 459.42
Empirical Formula: C23H20F3N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.345
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 70
Number of rings: 4

     

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