COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL483523
Chemical Name: 3-{[(3-chloro-2-methylphenyl)amino]methyl}-1-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Smiles: O=C(c1ccccc1)C[n+]1nc(n2c1CCCCC2)CNc1cccc(c1C)Cl

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Saltdata: Br-
Molecular Weight: 409.94
Empirical Formula: C23H26ClN4O

Available Amount: 0 mg

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

     

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