COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL271643
Chemical Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-2-{[(4-chlorophenyl)amino]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-1-ium
Smiles: Clc1ccc(cc1)NCc1nn2c([n+]1CC(=O)c1ccc(cc1)Br)CCCCC2

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Saltdata: Br-
Molecular Weight: 474.81
Empirical Formula: C22H23BrClN4O

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 50
Number of rings: 4

     

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