COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL195344
Chemical Name: 1-[2-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]-2,5-dimethylpyridinium
Smiles: CCc1cc2c(cc1C(=O)C[n+]1cc(C)ccc1C)C(C)(C)CCC2(C)C

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Saltdata: Br-
Molecular Weight: 364.55
Empirical Formula: C25H34NO

Physical State: Dry powder
Available Amount: 2000 mg

Lipinsky:
logP: 3.55
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 20
Number of rings: 3

     

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