COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870306
Chemical Name: N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxo-2-(phenylamino)ethanaminium
Smiles: COCc1cc(C)nc(c1C#N)SCC[N+](CC(=O)Nc1ccccc1)(C)C

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Saltdata: Cl-
Molecular Weight: 399.54
Empirical Formula: C21H27N4O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -0.621
Rotatable bonds: 8
H-donors: 1
H-acceptors: 2
PSA: 100
Number of rings: 2

     

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