COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK054746
Chemical Name: 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-[2-(4-nitrophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Smiles: Clc1ccc(c(c1)Cl)C(=O)Cn1nc[n+](c1)CC(=O)c1ccc(cc1)[N+](=O)[O-]

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Saltdata: Br-
Molecular Weight: 420.23
Empirical Formula: C18H13Cl2N4O4

Physical State: Dry powder
Available Amount: 405 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 101
Number of rings: 3

     

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