COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL301346
Chemical Name: 3-{[(2,5-dimethoxyphenyl)amino]methyl}-1-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Smiles: COc1ccc(c(c1)NCc1n[n+](c2n1CCCCC2)CC(=O)c1ccccc1)OC

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Saltdata: Br-
Molecular Weight: 421.52
Empirical Formula: C24H29N4O3

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 4

     

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