COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL112732
Chemical Name: 1-(2-chlorobenzyl)-1-(5-ethyl-4-hydroxy-5-methyl-4-phenylhept-2-yn-1-yl)piperidinium
Smiles: CCC(C(c1ccccc1)(C#CC[N+]1(CCCCC1)Cc1ccccc1Cl)O)(CC)C

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Saltdata: Cl-
Molecular Weight: 439.06
Empirical Formula: C28H37ClNO

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 4.442
Rotatable bonds: 7
H-donors: 1
H-acceptors: 1
PSA: 20
Number of rings: 3

     

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