COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK077876
Chemical Name: 4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazol-4-ium
Smiles: CCCC1COC(O1)(Cn1nc[n+](c1)CC(=O)c1ccc(cc1Cl)Cl)c1ccc(cc1Cl)Cl

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Saltdata: Br-
Molecular Weight: 530.26
Empirical Formula: C23H22Cl4N3O3

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 0
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 57
Number of rings: 4

     

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