COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL281520
Chemical Name: 1-[2-(3-nitrophenyl)-2-oxoethyl]-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyridiniumbromide
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])C[n+]1ccc(cc1)c1nnc2n1CCCCC2.[Br-]

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Molecular Weight: 458.31
Empirical Formula: C20H20BrN5O3

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 4

     

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