COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL440319
Chemical Name: 2-[6,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)-6,7-dihydropyrido[2,1-a]isoquinolinium-4-yl]-4-nitrophenolate
Smiles: [O-]c1ccc(cc1c1cc(cc2[n+]1C(C)(C)Cc1c2cccc1)C(C(F)F)(F)F)[N+](=O)[O-]

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Molecular Weight: 446.4
Empirical Formula: C23H18F4N2O3

Available Amount: 0 mg

Lipinsky:
logP: -0.769
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 72
Number of rings: 4

     

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