COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL195345
Chemical Name: 1-[2-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]pyridinium
Smiles: CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C[n+]1ccccc1)C

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Saltdata: I-
Molecular Weight: 336.5
Empirical Formula: C23H30NO

Physical State: Dry powder
Available Amount: 1700 mg

Lipinsky:
logP: 2.591
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 20
Number of rings: 3

     

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