COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK049398
Chemical Name: 1,4-bis[2-(4-nitrophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Cn1nc[n+](c1)CC(=O)c1ccc(cc1)[N+](=O)[O-]

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Saltdata: Br-
Molecular Weight: 396.34
Empirical Formula: C18H14N5O6

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 147
Number of rings: 3

     

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