COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058904
Chemical Name: N,N-dimethyl-2-oxo-2-(prop-2-yn-1-yloxy)-N-[(3,4,5-trichlorothiophen-2-yl)methyl]ethanaminium
Smiles: C#CCOC(=O)C[N+](Cc1sc(c(c1Cl)Cl)Cl)(C)C

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Saltdata: Cl-
Molecular Weight: 341.66
Empirical Formula: C12H13Cl3NO2S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 0.307
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 54
Number of rings: 1

     

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