COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038802
Chemical Name: 4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl}pyrrolidin-1-yl)benzoate
Smiles: O=C1CC(C(=O)N1c1ccc(cc1)C(=O)[O-])[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F

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Molecular Weight: 447.41
Empirical Formula: C22H20F3N3O4

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 2.83
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 85
Number of rings: 4

     

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