COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL488165
Chemical Name: N,N-dimethyl-2-(nonyloxy)-2-oxo-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}ethanaminium
Smiles: CCCCCCCCCOC(=O)C[N+](Cc1cn(nc1c1cccs1)c1ccccc1)(C)C

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Saltdata: Cl-
Molecular Weight: 468.68
Empirical Formula: C27H38N3O2S

Available Amount: 0 mg

Lipinsky:
logP: 4.475
Rotatable bonds: 14
H-donors: 0
H-acceptors: 2
PSA: 72
Number of rings: 3

     

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