COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484026
Chemical Name: 3-(4-bromophenyl)-1-[2-(4-bromophenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Smiles: Brc1ccc(cc1)C(=O)C[n+]1nc(n2c1CCCCC2)c1ccc(cc1)Br

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Saltdata: Br-
Molecular Weight: 490.22
Empirical Formula: C21H20Br2N3O

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 38
Number of rings: 4

     

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