COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058936
Chemical Name: 1,4-bis[2-(2,4-dichlorophenyl)-2-oxoethyl]-3,5-dimethyl-1H-1,2,4-triazol-4-ium
Smiles: Clc1ccc(c(c1)Cl)C(=O)Cn1nc([n+](c1C)CC(=O)c1ccc(cc1Cl)Cl)C

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Saltdata: Br-
Molecular Weight: 472.18
Empirical Formula: C20H16Cl4N3O2

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 55
Number of rings: 3

     

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