COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058948
Chemical Name: 1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-4-[2-(4-nitrophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Smiles: CCCC1COC(O1)(Cn1nc[n+](c1)CC(=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1Cl)Cl

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Saltdata: Br-
Molecular Weight: 506.36
Empirical Formula: C23H23Cl2N4O5

Physical State: Dry powder
Available Amount: 237 mg

Lipinsky:
logP: 0
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 103
Number of rings: 4

     

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