COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL266822
Chemical Name: 3-{[(4-chlorophenyl)amino]methyl}-1-[2-(4-fluorophenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Smiles: Fc1ccc(cc1)C(=O)C[n+]1nc(n2c1CCCCC2)CNc1ccc(cc1)Cl

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Saltdata: Br-
Molecular Weight: 413.9
Empirical Formula: C22H23ClFN4O

Physical State: Dry powder
Available Amount: 13 mg

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

     

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