COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570094
Chemical Name: 4-(3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoate
Smiles: [O-]C(=O)c1ccc(cc1)N1C(=O)CC(C1=O)[NH+]1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 492.41
Empirical Formula: C22H19F3N4O6

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.79
Rotatable bonds: 1
H-donors: 1
H-acceptors: 6
PSA: 131
Number of rings: 4

     

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