COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK014880
Chemical Name: 1-(2-oxo-2-phenylethyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyridiniumbromide
Smiles: O=C(c1ccccc1)C[n+]1ccc(cc1)c1nnc2n1CCCCC2.[Br-]

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Molecular Weight: 413.32
Empirical Formula: C20H21BrN4O

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 0
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 51
Number of rings: 4

     

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