COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076950
Chemical Name: 1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-4-ethyl-1H-1,2,4-triazol-4-ium
Smiles: CCCC1COC(O1)(Cn1nc[n+](c1)CC)c1ccc(cc1Cl)Cl

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Saltdata: Br-
Molecular Weight: 371.29
Empirical Formula: C17H22Cl2N3O2

Physical State: Dry powder
Available Amount: 377 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 40
Number of rings: 3

     

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