COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK684130
Chemical Name: 2-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
Smiles: [O-][N+](=O)c1cc(F)c(cc1N1CCc2c(C1)cccc2)N1CCCCCC1

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Molecular Weight: 369.44
Empirical Formula: C21H24FN3O2

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 7.104
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 52
Number of rings: 4

     

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