COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL265544
Chemical Name: 3-[(4-tert-butylphenoxy)methyl]-1-[2-(4-chlorophenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Smiles: Clc1ccc(cc1)C(=O)C[n+]1nc(n2c1CCCCC2)COc1ccc(cc1)C(C)(C)C

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Saltdata: Br-
Molecular Weight: 453
Empirical Formula: C26H31ClN3O2

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 48
Number of rings: 4

     

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