COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL483521
Chemical Name: 3-{[(3,4-dichlorophenyl)amino]methyl}-1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Smiles: O=C(c1ccc(c(c1)Cl)Cl)C[n+]1nc(n2c1CCCCC2)CNc1ccc(c(c1)Cl)Cl

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Saltdata: Br-
Molecular Weight: 499.25
Empirical Formula: C22H21Cl4N4O

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 1
H-acceptors: 1
PSA: 50
Number of rings: 4

     

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