COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059271
Chemical Name: 1,4-bis(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)-1,4-diazoniabicyclo[2.2.2]octane
Smiles: O=C(C[N+]12CC[N+](CC1)(CC2)CC(=O)Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F

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Saltdata: 2 Cl-
Molecular Weight: 516.49
Empirical Formula: C24H26F6N4O2

Physical State: Dry powder
Available Amount: 235 mg

Lipinsky:
logP: 3.922
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 58
Number of rings: 5

     

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