COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059283
Chemical Name: 3-{[(4-bromophenyl)amino]methyl}-1-[2-(4-nitrophenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Smiles: Brc1ccc(cc1)NCc1n[n+](c2n1CCCCC2)CC(=O)c1ccc(cc1)[N+](=O)[O-]

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Saltdata: Br-
Molecular Weight: 485.36
Empirical Formula: C22H23BrN5O3

Physical State: Dry powder
Available Amount: 264 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 4

     

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