COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL265114
Chemical Name: 3-{[(4-bromophenyl)amino]methyl}-1-{2-[2-(difluoromethoxy)phenyl]-2-oxoethyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Smiles: FC(Oc1ccccc1C(=O)C[n+]1nc(n2c1CCCCC2)CNc1ccc(cc1)Br)F

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Saltdata: Br-
Molecular Weight: 506.37
Empirical Formula: C23H24BrF2N4O2

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 60
Number of rings: 4

     

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