COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK968679
Chemical Name: 1-(3,3-dimethyl-2-oxobutyl)-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: Cc1ccc(c(c1)OCc1n[n+](c2n1CCCCC2)CC(=O)C(C)(C)C)C(C)C

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Saltdata: Br-
Molecular Weight: 398.57
Empirical Formula: C24H36N3O2

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 48
Number of rings: 3

     

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