COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL265207
Chemical Name: 3-{[(4-bromophenyl)amino]methyl}-1-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Smiles: Brc1ccc(cc1)NCc1n[n+](c2n1CCCCC2)CC(=O)c1ccccc1

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Saltdata: Br-
Molecular Weight: 440.36
Empirical Formula: C22H24BrN4O

Physical State: Dry powder
Available Amount: 8 mg

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

     

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