COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL264942
Chemical Name: 1-{2-[4-(difluoromethoxy)phenyl]-2-oxoethyl}-3-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Smiles: FC(Oc1ccc(cc1)C(=O)C[n+]1nc(n2c1CCCCC2)COc1cc(C)ccc1C(C)C)F

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Saltdata: Br-
Molecular Weight: 484.57
Empirical Formula: C27H32F2N3O3

Physical State: Dry powder
Available Amount: 24 mg

Lipinsky:
logP: 0
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 57
Number of rings: 4

     

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