COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL327367
Chemical Name: 2-hydroxy-2-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Smiles: [O-][N+](=O)c1cccc(c1)C1(O)CN2C(=[N+]1c1cccc(c1)C(F)(F)F)CCCCC2

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Saltdata: Br-
Molecular Weight: 420.41
Empirical Formula: C21H21F3N3O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 72
Number of rings: 4

     

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